#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr9 s SER 2 N 0.00 -0.42 0.00 1.61 0.01 -1.26 -5.19 113.70 108.46 2cr9 s SER 2 Ca 0.00 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2cr9 s SER 2 Cb 0.00 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2cr9 s SER 2 CO 0.00 -0.64 0.00 -0.24 0.41 0.00 0.00 173.24 172.77 2cr9 n SER 3 N -0.05 0.00 -3.56 2.44 2.88 -1.26 -5.18 113.62 108.89 2cr9 n SER 3 Ca -0.11 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.26 2cr9 n SER 3 Cb 0.61 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 2cr9 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr9 s GLY 4 N 0.00 -0.51 0.11 0.46 0.00 -1.26 -5.18 107.32 100.94 2cr9 s GLY 4 Ca 0.00 1.14 -0.07 0.00 0.00 0.00 0.00 44.72 45.79 2cr9 s GLY 4 CO 0.00 0.80 0.16 -1.35 0.00 0.00 0.00 173.10 172.72 2cr9 s SER 5 N -1.25 0.18 0.05 1.64 1.04 -1.26 -5.18 113.70 108.93 2cr9 s SER 5 Ca -0.11 -0.82 -0.07 0.00 0.48 0.00 0.00 55.95 55.43 2cr9 s SER 5 Cb -0.01 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2cr9 s SER 5 CO 0.09 -0.75 0.14 -0.94 0.98 0.00 0.00 173.24 172.76 2cr9 s SER 6 N -2.92 0.14 -0.18 7.02 1.04 -1.26 -5.17 113.70 112.37 2cr9 s SER 6 Ca 0.10 -0.54 -0.18 0.00 0.48 0.00 0.00 55.95 55.81 2cr9 s SER 6 Cb 0.05 0.27 0.05 0.00 0.10 0.00 0.00 66.02 66.49 2cr9 s SER 6 CO -0.07 -0.58 0.52 -0.83 0.98 0.00 0.00 173.24 173.26 2cr9 s GLY 7 N -2.33 -0.39 0.31 7.32 0.00 -1.26 -5.17 107.32 105.80 2cr9 s GLY 7 Ca -0.02 1.42 0.03 0.00 0.00 0.00 0.00 44.72 46.15 2cr9 s GLY 7 CO -0.06 1.21 0.09 0.54 0.00 0.00 0.00 173.10 174.88 2cr9 s LYS 8 N 0.17 1.60 1.02 2.90 1.02 -1.26 -5.15 119.74 120.04 2cr9 s LYS 8 Ca -0.01 -1.90 -0.13 0.00 0.02 0.00 0.00 55.97 53.95 2cr9 s LYS 8 Cb -0.04 -0.55 0.20 0.00 -0.52 0.00 0.00 37.83 36.92 2cr9 s LYS 8 CO 0.01 -0.29 1.11 -1.12 -0.92 0.00 0.00 175.35 174.14 2cr9 s SER 9 N -3.43 2.49 1.04 2.83 0.01 -1.26 -4.98 113.70 110.40 2cr9 s SER 9 Ca 0.35 1.04 -0.22 0.00 1.31 0.00 0.00 55.95 58.43 2cr9 s SER 9 Cb 0.07 -1.62 -0.07 0.00 0.21 0.00 0.00 66.02 64.61 2cr9 s SER 9 CO 0.15 -3.20 -0.77 -0.62 0.41 0.00 0.00 173.24 169.21 2cr9 n GLU 10 N -4.20 -0.59 -4.22 12.44 1.02 -1.26 -5.01 120.64 118.82 2cr9 n GLU 10 Ca 0.06 -0.16 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 2cr9 n GLU 10 Cb 0.58 -1.31 -0.11 0.00 -0.02 0.00 0.00 31.44 30.58 2cr9 n GLU 10 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2cr9 s LYS 11 N -2.64 0.96 -0.15 3.49 -2.85 -1.26 -5.14 119.74 112.15 2cr9 s LYS 11 Ca 0.45 -1.29 -0.04 0.00 -1.00 0.00 0.00 55.97 54.09 2cr9 s LYS 11 Cb -0.03 -0.63 0.07 0.00 -2.06 0.00 0.00 37.83 35.18 2cr9 s LYS 11 CO 0.68 0.09 0.24 1.03 0.10 0.00 0.00 175.35 177.50 2cr9 s ARG 12 N -3.16 0.15 -0.38 1.78 3.00 -1.26 -5.10 118.95 113.98 2cr9 s ARG 12 Ca 0.11 0.54 -0.28 0.00 0.00 0.00 0.00 55.73 56.10 2cr9 s ARG 12 Cb -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 34.95 34.44 2cr9 s ARG 12 CO 0.01 -0.42 2.00 -1.64 0.00 0.00 0.00 175.30 175.24 2cr9 s MET 13 N 2.38 2.97 0.08 3.54 -1.94 -1.26 -4.96 119.30 120.11 2cr9 s MET 13 Ca 0.04 1.41 0.05 0.00 -1.71 0.00 0.00 55.69 55.49 2cr9 s MET 13 Cb -0.13 -4.33 -0.04 0.00 2.01 0.00 0.00 34.83 32.34 2cr9 s MET 13 CO -0.10 -2.29 -0.05 0.15 -0.01 0.00 0.00 175.02 172.72 2cr9 s LYS 14 N 6.46 2.38 -0.55 2.03 1.02 -1.26 -5.08 119.74 124.74 2cr9 s LYS 14 Ca 0.85 -0.90 -0.19 0.00 0.02 0.00 0.00 55.97 55.75 2cr9 s LYS 14 Cb -0.22 -2.44 0.08 0.00 -0.52 0.00 0.00 37.83 34.73 2cr9 s LYS 14 CO 0.30 0.54 0.65 -1.17 -0.92 0.00 0.00 175.35 174.75 2cr9 s LEU 15 N -2.13 5.20 0.70 3.17 2.96 -1.26 -5.04 118.68 122.28 2cr9 s LEU 15 Ca 0.23 -1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 52.91 2cr9 s LEU 15 Cb -0.11 -2.37 0.09 0.00 0.50 0.00 0.00 46.19 44.30 2cr9 s LEU 15 CO 0.15 -0.99 0.99 0.42 -1.32 0.00 0.00 176.35 175.59 2cr9 s THR 16 N 2.62 2.28 -0.49 3.68 -4.23 -1.26 -5.07 115.64 113.16 2cr9 s THR 16 Ca 0.13 -0.44 0.06 0.00 -1.18 0.00 0.00 61.69 60.26 2cr9 s THR 16 Cb -0.22 -2.84 0.22 0.00 1.34 0.00 0.00 72.50 71.01 2cr9 s THR 16 CO 0.09 0.00 0.80 -0.11 -0.54 0.00 0.00 174.62 174.86 2cr9 n LEU 17 N -2.85 -2.83 -4.07 4.79 7.94 -1.26 -5.14 117.00 113.57 2cr9 n LEU 17 Ca 0.11 -3.30 -0.10 0.00 -1.11 0.00 0.00 56.01 51.61 2cr9 n LEU 17 Cb 0.60 0.79 -0.08 0.00 0.53 0.00 0.00 43.42 45.26 2cr9 n LEU 17 CO 0.46 1.98 -0.09 -0.75 -1.11 0.00 0.00 177.39 177.88 2cr9 s LYS 18 N 0.62 1.20 0.00 1.96 2.20 -1.26 -5.14 119.74 119.32 2cr9 s LYS 18 Ca 0.32 -1.36 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 2cr9 s LYS 18 Cb 0.15 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 2cr9 s LYS 18 CO -0.18 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 2cr9 n GLY 19 N -0.24 3.96 0.00 5.54 0.00 -1.26 -5.15 105.19 108.04 2cr9 n GLY 19 Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2cr9 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr9 n GLY 20 N 0.00 0.95 3.83 -0.02 0.00 -1.26 -5.10 105.19 103.59 2cr9 n GLY 20 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2cr9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr9 s ALA 21 N -2.15 2.42 0.09 4.61 0.00 -1.26 -5.03 121.76 120.43 2cr9 s ALA 21 Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 2cr9 s ALA 21 Cb 0.00 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.97 2cr9 s ALA 21 CO 0.00 -1.59 0.59 0.00 0.00 0.00 0.00 175.76 174.75 2cr9 s ALA 22 N -3.23 3.57 0.04 0.00 0.00 -1.26 -4.26 121.76 116.62 2cr9 s ALA 22 Ca 0.60 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 2cr9 s ALA 22 Cb -0.13 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2cr9 s ALA 22 CO 0.53 0.40 0.18 0.08 0.00 0.00 0.00 175.76 176.95 2cr9 s VAL 23 N -1.18 5.30 0.33 0.00 1.01 -1.26 -4.86 120.40 119.75 2cr9 s VAL 23 Ca 0.31 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 2cr9 s VAL 23 Cb -0.19 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 2cr9 s VAL 23 CO 0.19 0.21 0.99 1.51 0.00 0.00 0.00 175.10 178.01 2cr9 s ASP 24 N -2.27 7.18 0.46 3.32 -4.77 -1.26 -4.70 116.67 114.64 2cr9 s ASP 24 Ca 0.31 1.95 0.26 0.00 -3.30 0.00 0.00 52.55 51.78 2cr9 s ASP 24 Cb -0.13 -2.59 0.78 0.00 -1.09 0.00 0.00 42.92 39.89 2cr9 s ASP 24 CO 0.24 -0.18 1.77 1.55 0.70 0.00 0.00 175.17 179.24 2cr9 h PRO 25 N 3.12 0.00 0.00 2.11 0.13 -1.98 -2.91 132.00 132.47 2cr9 h PRO 25 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2cr9 h PRO 25 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2cr9 h PRO 25 CO 0.65 0.09 -0.07 -0.44 -0.23 0.00 0.00 178.00 177.99 2cr9 h ASP 26 N 0.00 0.00 1.33 1.44 3.32 -2.03 0.35 116.42 120.84 2cr9 h ASP 26 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 2cr9 h ASP 26 Cb 0.82 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 2cr9 h ASP 26 CO 0.01 0.07 -0.55 0.77 -1.72 0.00 0.00 179.24 177.83 2cr9 h SER 27 N 0.00 0.00 -0.30 6.45 4.64 -1.92 -3.47 113.55 118.96 2cr9 h SER 27 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2cr9 h SER 27 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 2cr9 h SER 27 CO 0.01 0.55 -0.12 0.61 -0.87 0.00 0.00 176.83 177.01 2cr9 n GLY 28 N 1.09 0.85 0.00 -0.77 0.00 0.11 -4.85 105.19 101.63 2cr9 n GLY 28 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2cr9 n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cr9 n LEU 29 N -0.71 1.54 0.32 0.99 4.77 -1.26 -4.63 117.00 118.03 2cr9 n LEU 29 Ca -0.06 -1.54 0.21 0.00 -0.03 0.00 0.00 56.01 54.58 2cr9 n LEU 29 Cb 0.22 0.00 1.07 0.00 -2.33 0.00 0.00 43.42 42.38 2cr9 n LEU 29 CO 0.09 0.39 1.14 1.05 -1.33 0.00 0.00 177.39 178.72 2cr9 h GLU 30 N 0.00 0.00 -0.01 3.23 4.11 -1.74 1.33 114.58 121.50 2cr9 h GLU 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cr9 h GLU 30 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2cr9 h GLU 30 CO 0.00 0.01 0.00 -2.39 0.07 0.00 0.00 179.01 176.70 2cr9 n HIS 31 N -3.19 0.01 0.09 2.06 1.44 -1.26 -4.78 115.22 109.59 2cr9 n HIS 31 Ca -0.02 -0.60 0.00 0.00 -2.01 0.00 0.00 57.72 55.08 2cr9 n HIS 31 Cb 0.12 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.16 2cr9 n HIS 31 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2cr9 n SER 32 N -0.67 0.57 -4.95 4.39 7.64 -0.13 -5.11 113.62 115.35 2cr9 n SER 32 Ca 0.04 0.29 -0.20 0.00 1.01 0.00 0.00 58.87 60.01 2cr9 n SER 32 Cb 0.33 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr9 s ALA 33 N -2.00 4.37 0.07 -0.43 0.00 0.44 -3.82 121.76 120.39 2cr9 s ALA 33 Ca 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 51.96 50.12 2cr9 s ALA 33 Cb 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 2cr9 s ALA 33 CO 0.00 -0.37 0.07 -3.38 0.00 0.00 0.00 175.76 172.08 2cr9 s HIS 34 N -2.50 0.33 0.11 0.00 -3.43 0.18 -4.26 115.29 105.73 2cr9 s HIS 34 Ca 0.51 -0.81 -0.35 0.00 -0.80 0.00 0.00 55.06 53.60 2cr9 s HIS 34 Cb -0.06 -0.23 -0.15 0.00 -1.43 0.00 0.00 32.58 30.71 2cr9 s HIS 34 CO 0.31 -0.45 1.46 0.28 -2.00 0.00 0.00 174.74 174.34 2cr9 n VAL 35 N 0.09 0.01 -2.15 -5.38 0.31 -1.26 0.75 118.33 110.69 2cr9 n VAL 35 Ca -0.15 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.76 2cr9 n VAL 35 Cb 0.61 -1.16 -0.03 0.00 -0.91 0.00 0.00 33.84 32.36 2cr9 n VAL 35 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2cr9 s LEU 36 N 0.75 4.29 -0.05 7.52 1.98 0.51 -4.74 118.68 128.94 2cr9 s LEU 36 Ca 0.82 2.11 0.00 0.00 -2.89 0.00 0.00 54.13 54.17 2cr9 s LEU 36 Cb -0.83 -3.54 -0.03 0.00 0.66 0.00 0.00 46.19 42.44 2cr9 s LEU 36 CO 0.43 -0.83 -0.02 -1.61 -1.89 0.00 0.00 176.35 172.43 2cr9 s GLU 37 N 3.33 2.83 -0.02 1.98 2.02 -1.26 -1.48 118.70 126.10 2cr9 s GLU 37 Ca 0.67 -0.53 -0.19 0.00 0.02 0.00 0.00 54.97 54.94 2cr9 s GLU 37 Cb -0.31 -2.68 0.03 0.00 0.10 0.00 0.00 34.13 31.27 2cr9 s GLU 37 CO 0.26 0.66 0.40 0.21 0.02 0.00 0.00 175.26 176.81 2cr9 s LYS 38 N -1.10 0.78 -1.36 1.61 2.20 -0.39 -4.92 119.74 116.56 2cr9 s LYS 38 Ca 0.15 -0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 55.55 2cr9 s LYS 38 Cb -0.11 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.58 2cr9 s LYS 38 CO 0.05 -0.23 0.20 0.41 -0.36 0.00 0.00 175.35 175.42 2cr9 n GLY 39 N 1.12 -0.32 3.67 5.54 0.00 -1.26 0.21 105.19 114.15 2cr9 n GLY 39 Ca -0.21 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2cr9 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr9 n GLY 40 N -2.35 -0.48 3.31 -0.02 0.00 -1.26 -4.93 105.19 99.46 2cr9 n GLY 40 Ca -0.24 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 2cr9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr9 s LYS 41 N -6.34 1.29 -0.04 1.61 -0.14 0.57 -5.13 119.74 111.54 2cr9 s LYS 41 Ca 0.53 -1.64 0.05 0.00 -1.36 0.00 0.00 55.97 53.56 2cr9 s LYS 41 Cb -0.28 -0.59 -0.02 0.00 -1.68 0.00 0.00 37.83 35.26 2cr9 s LYS 41 CO 0.65 -0.08 -0.19 0.08 -0.76 0.00 0.00 175.35 175.05 2cr9 s VAL 42 N -3.43 2.61 -0.49 3.17 1.01 -1.26 -1.26 120.40 120.75 2cr9 s VAL 42 Ca 0.27 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 2cr9 s VAL 42 Cb 0.05 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.51 2cr9 s VAL 42 CO 0.07 0.58 2.77 0.49 0.00 0.00 0.00 175.10 179.02 2cr9 n PHE 43 N 2.45 1.61 -3.82 5.22 3.01 -0.55 -4.77 117.46 120.60 2cr9 n PHE 43 Ca -0.17 -1.97 -0.30 0.00 1.01 0.00 0.00 57.45 56.02 2cr9 n PHE 43 Cb 0.52 -1.41 -0.15 0.00 -0.01 0.00 0.00 39.48 38.43 2cr9 n PHE 43 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2cr9 s SER 44 N 0.39 4.19 -0.01 4.37 0.15 -1.26 -2.54 113.70 119.00 2cr9 s SER 44 Ca 0.59 -2.04 0.08 0.00 0.70 0.00 0.00 55.95 55.28 2cr9 s SER 44 Cb 0.37 -1.16 -0.02 0.00 -1.71 0.00 0.00 66.02 63.50 2cr9 s SER 44 CO -0.21 -0.37 -0.25 0.00 1.20 0.00 0.00 173.24 173.61 2cr9 s ALA 45 N 1.08 2.23 -0.38 5.45 0.00 -0.70 -5.04 121.76 124.40 2cr9 s ALA 45 Ca 0.12 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.98 2cr9 s ALA 45 Cb -0.20 -0.58 0.11 0.00 0.00 0.00 0.00 23.12 22.46 2cr9 s ALA 45 CO -0.14 0.53 0.11 0.99 0.00 0.00 0.00 175.76 177.25 2cr9 s THR 46 N -0.66 2.23 0.71 0.00 2.01 -1.26 -1.57 115.64 117.08 2cr9 s THR 46 Ca 0.11 -2.52 -0.09 0.00 0.31 0.00 0.00 61.69 59.50 2cr9 s THR 46 Cb -0.10 -2.62 0.05 0.00 0.01 0.00 0.00 72.50 69.83 2cr9 s THR 46 CO -0.00 -0.66 1.05 -0.76 -0.69 0.00 0.00 174.62 173.55 2cr9 s LEU 47 N 0.65 2.84 -0.21 4.42 1.43 0.09 -0.88 118.68 127.02 2cr9 s LEU 47 Ca 0.13 0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 53.65 2cr9 s LEU 47 Cb -0.21 -3.38 0.12 0.00 0.03 0.00 0.00 46.19 42.76 2cr9 s LEU 47 CO -0.07 -1.52 0.98 -0.83 0.23 0.00 0.00 176.35 175.14 2cr9 s GLY 48 N -4.46 -0.25 0.01 -3.19 0.00 0.86 -1.70 107.32 98.59 2cr9 s GLY 48 Ca 0.59 2.25 -0.04 0.00 0.00 0.00 0.00 44.72 47.52 2cr9 s GLY 48 CO 0.47 1.38 0.06 -2.27 0.00 0.00 0.00 173.10 172.74 2cr9 s LEU 49 N -0.52 1.85 -0.04 0.66 2.96 0.12 -2.56 118.68 121.16 2cr9 s LEU 49 Ca -0.00 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 2cr9 s LEU 49 Cb -0.02 0.39 0.02 0.00 0.50 0.00 0.00 46.19 47.07 2cr9 s LEU 49 CO -0.01 -0.30 0.10 -0.69 -1.32 0.00 0.00 176.35 174.12 2cr9 s VAL 50 N -1.26 -0.02 -0.04 1.68 1.01 -1.26 0.21 120.40 120.72 2cr9 s VAL 50 Ca -0.14 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 2cr9 s VAL 50 Cb -0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 2cr9 s VAL 50 CO 0.00 0.02 0.51 -0.62 0.00 0.00 0.00 175.10 175.01 2cr9 s ASP 51 N 0.39 6.83 0.01 3.32 -1.08 0.02 -4.96 116.67 121.20 2cr9 s ASP 51 Ca -0.03 0.99 0.04 0.00 -0.52 0.00 0.00 52.55 53.02 2cr9 s ASP 51 Cb -0.04 -2.31 -0.25 0.00 -1.46 0.00 0.00 42.92 38.86 2cr9 s ASP 51 CO -0.02 0.12 0.85 -0.29 0.52 0.00 0.00 175.17 176.36 2cr9 h ILE 52 N 4.24 1.14 0.00 4.11 2.10 -1.94 -1.82 117.51 125.33 2cr9 h ILE 52 Ca -0.45 -2.87 0.00 0.00 1.08 0.00 0.00 64.86 62.62 2cr9 h ILE 52 Cb 1.20 2.66 0.00 0.00 -1.09 0.00 0.00 36.82 39.58 2cr9 h ILE 52 CO 0.70 0.75 -0.10 0.58 -1.08 0.00 0.00 178.15 179.00 2cr9 h VAL 53 N 0.03 0.00 0.00 2.19 2.07 -1.97 -3.31 116.25 115.26 2cr9 h VAL 53 Ca -0.22 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2cr9 h VAL 53 Cb 1.97 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2cr9 h VAL 53 CO 0.12 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.00 2cr9 n LYS 54 N -4.62 0.17 -2.29 1.57 4.76 -1.26 -4.83 118.16 111.66 2cr9 n LYS 54 Ca -0.01 0.49 -0.14 0.00 -2.87 0.00 0.00 58.31 55.78 2cr9 n LYS 54 Cb 0.05 -1.88 -0.01 0.00 -1.84 0.00 0.00 35.03 31.34 2cr9 n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2cr9 n GLY 55 N -0.46 -0.24 3.96 0.72 0.00 -0.70 -4.94 105.19 103.54 2cr9 n GLY 55 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2cr9 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cr9 s THR 56 N -2.64 3.89 -0.04 2.61 -4.23 -1.15 -4.87 115.64 109.22 2cr9 s THR 56 Ca 0.00 -0.64 0.07 0.00 -1.18 0.00 0.00 61.69 59.94 2cr9 s THR 56 Cb 0.00 -3.42 -0.02 0.00 1.34 0.00 0.00 72.50 70.41 2cr9 s THR 56 CO 0.00 -0.26 -0.25 0.20 -0.54 0.00 0.00 174.62 173.78 2cr9 s ASN 57 N -4.23 3.14 0.01 3.99 -0.87 -1.26 -0.80 114.94 114.92 2cr9 s ASN 57 Ca 0.48 -0.47 0.03 0.00 -1.57 0.00 0.00 52.86 51.33 2cr9 s ASN 57 Cb -0.10 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.25 40.50 2cr9 s ASN 57 CO 0.36 0.29 -0.09 -0.44 -2.57 0.00 0.00 177.10 174.64 2cr9 s SER 58 N -0.40 1.08 -0.03 -1.22 0.01 0.55 -1.51 113.70 112.19 2cr9 s SER 58 Ca 0.04 -0.24 -0.05 0.00 1.31 0.00 0.00 55.95 57.01 2cr9 s SER 58 Cb -0.12 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.02 2cr9 s SER 58 CO 0.01 0.06 0.11 -0.72 0.41 0.00 0.00 173.24 173.11 2cr9 s TYR 59 N -0.42 -0.04 0.01 2.43 -0.85 -1.16 0.12 117.35 117.43 2cr9 s TYR 59 Ca 0.02 0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.68 2cr9 s TYR 59 Cb -0.05 -0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 2cr9 s TYR 59 CO -0.00 -0.14 -0.03 -0.47 -1.52 0.00 0.00 175.55 173.40 2cr9 s TYR 60 N -0.48 0.23 -0.00 -3.49 5.04 -0.69 -3.54 117.35 114.43 2cr9 s TYR 60 Ca -0.06 -0.21 0.06 0.00 -2.44 0.00 0.00 57.07 54.42 2cr9 s TYR 60 Cb -0.04 -0.15 -0.02 0.00 0.35 0.00 0.00 41.96 42.10 2cr9 s TYR 60 CO 0.00 -0.06 -0.18 0.15 -1.34 0.00 0.00 175.55 174.12 2cr9 s LYS 61 N -0.58 1.41 -0.11 4.97 -0.14 -0.29 -0.73 119.74 124.26 2cr9 s LYS 61 Ca -0.05 -0.69 -0.03 0.00 -1.36 0.00 0.00 55.97 53.84 2cr9 s LYS 61 Cb -0.04 -1.39 0.04 0.00 -1.68 0.00 0.00 37.83 34.76 2cr9 s LYS 61 CO -0.00 0.37 0.05 -1.17 -0.76 0.00 0.00 175.35 173.84 2cr9 s LEU 62 N -0.59 0.50 -0.05 3.17 2.96 -0.61 -2.21 118.68 121.86 2cr9 s LEU 62 Ca 0.07 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 2cr9 s LEU 62 Cb -0.07 -0.33 0.03 0.00 0.50 0.00 0.00 46.19 46.32 2cr9 s LEU 62 CO -0.00 -0.27 0.08 -1.10 -1.32 0.00 0.00 176.35 173.74 2cr9 s GLN 63 N 2.05 -0.03 -0.61 1.98 -0.21 -1.07 -1.72 119.66 120.05 2cr9 s GLN 63 Ca 0.03 0.38 -0.19 0.00 0.02 0.00 0.00 55.36 55.60 2cr9 s GLN 63 Cb -0.14 -0.38 0.10 0.00 1.00 0.00 0.00 33.01 33.59 2cr9 s GLN 63 CO -0.06 -0.28 0.75 -1.17 -2.12 0.00 0.00 175.29 172.41 2cr9 s LEU 64 N 1.89 5.27 0.18 2.90 0.20 -1.05 -2.52 118.68 125.55 2cr9 s LEU 64 Ca 0.01 -1.41 -0.30 0.00 0.69 0.00 0.00 54.13 53.12 2cr9 s LEU 64 Cb -0.12 -2.32 -0.08 0.00 -0.43 0.00 0.00 46.19 43.24 2cr9 s LEU 64 CO -0.04 -1.15 1.00 -0.76 -0.29 0.00 0.00 176.35 175.11 2cr9 s LEU 65 N 2.84 4.55 0.11 -0.68 1.43 -1.06 0.19 118.68 126.06 2cr9 s LEU 65 Ca 0.13 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.23 2cr9 s LEU 65 Cb -0.23 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2cr9 s LEU 65 CO 0.06 -0.03 -0.11 -1.83 0.23 0.00 0.00 176.35 174.68 2cr9 s GLU 66 N -0.61 0.93 0.09 1.70 4.04 0.23 -1.05 118.70 124.02 2cr9 s GLU 66 Ca 0.45 -1.26 -0.31 0.00 0.04 0.00 0.00 54.97 53.90 2cr9 s GLU 66 Cb -0.26 -0.60 -0.07 0.00 0.02 0.00 0.00 34.13 33.22 2cr9 s GLU 66 CO 0.33 0.09 1.33 0.34 -1.84 0.00 0.00 175.26 175.50 2cr9 s ASP 67 N -2.67 6.91 0.57 0.83 -1.08 -0.58 0.48 116.67 121.14 2cr9 s ASP 67 Ca 0.09 2.21 0.28 0.00 -0.52 0.00 0.00 52.55 54.61 2cr9 s ASP 67 Cb -0.01 -2.58 1.49 0.00 -1.46 0.00 0.00 42.92 40.35 2cr9 s ASP 67 CO 0.00 -0.60 1.96 -0.78 0.52 0.00 0.00 175.17 176.28 2cr9 h ASP 68 N 6.87 0.00 -0.57 -0.34 3.58 -1.91 1.69 116.42 125.75 2cr9 h ASP 68 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2cr9 h ASP 68 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2cr9 h ASP 68 CO 0.85 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 177.50 2cr9 n LYS 69 N -3.96 3.87 -2.98 0.28 4.76 -1.26 -5.01 118.16 113.85 2cr9 n LYS 69 Ca 0.08 -2.90 -0.01 0.00 -2.87 0.00 0.00 58.31 52.61 2cr9 n LYS 69 Cb 0.62 -1.94 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 2cr9 n LYS 69 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2cr9 n GLU 70 N 0.78 -1.87 0.09 1.97 1.02 0.58 -4.96 120.64 118.26 2cr9 n GLU 70 Ca 0.25 1.70 0.00 0.00 -0.02 0.00 0.00 57.16 59.09 2cr9 n GLU 70 Cb 0.94 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2cr9 n GLU 70 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2cr9 n ASN 71 N 1.82 -1.64 -4.50 1.62 2.85 -1.26 -4.98 115.26 109.17 2cr9 n ASN 71 Ca -0.08 0.36 -0.33 0.00 -0.11 0.00 0.00 54.58 54.42 2cr9 n ASN 71 Cb 0.26 1.81 -0.13 0.00 1.24 0.00 0.00 39.78 42.97 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2cr9 s ARG 72 N -1.38 2.83 0.19 1.20 0.52 -1.26 -4.87 118.95 116.18 2cr9 s ARG 72 Ca 0.00 -0.62 0.11 0.00 -0.52 0.00 0.00 55.73 54.70 2cr9 s ARG 72 Cb 0.00 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 2cr9 s ARG 72 CO 0.00 0.54 -0.23 0.71 0.02 0.00 0.00 175.30 176.34 2cr9 s TYR 73 N -0.50 2.24 0.20 -0.53 1.51 -1.25 -1.53 117.35 117.48 2cr9 s TYR 73 Ca 0.07 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.80 2cr9 s TYR 73 Cb -0.12 -1.11 -0.05 0.00 -0.11 0.00 0.00 41.96 40.58 2cr9 s TYR 73 CO 0.02 0.48 -0.07 -1.58 -1.11 0.00 0.00 175.55 173.29 2cr9 s TRP 74 N -1.72 1.49 -0.37 2.71 0.51 -0.22 0.14 118.94 121.47 2cr9 s TRP 74 Ca 0.20 -0.79 0.03 0.00 -2.12 0.00 0.00 56.10 53.42 2cr9 s TRP 74 Cb -0.08 -0.80 0.11 0.00 -0.81 0.00 0.00 33.47 31.89 2cr9 s TRP 74 CO 0.09 0.09 0.11 0.42 -0.51 0.00 0.00 176.95 177.15 2cr9 s ILE 75 N -3.29 1.93 -0.47 2.03 -1.09 0.55 -2.57 121.20 118.29 2cr9 s ILE 75 Ca 0.23 -2.29 -0.22 0.00 -2.23 0.00 0.00 60.65 56.14 2cr9 s ILE 75 Cb 0.03 -2.41 0.03 0.00 -1.58 0.00 0.00 42.46 38.53 2cr9 s ILE 75 CO 0.05 -0.67 0.75 0.12 -1.23 0.00 0.00 174.94 173.96 2cr9 s PHE 76 N 0.85 2.99 -0.17 3.97 5.36 -1.05 -3.07 117.98 126.86 2cr9 s PHE 76 Ca 0.12 0.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 2cr9 s PHE 76 Cb -0.20 -3.62 0.02 0.00 -0.34 0.00 0.00 43.02 38.88 2cr9 s PHE 76 CO -0.10 -1.01 -0.21 1.03 -1.46 0.00 0.00 175.22 173.47 2cr9 s ARG 77 N 3.18 3.00 0.01 10.12 0.52 -0.47 -2.59 118.95 132.71 2cr9 s ARG 77 Ca 0.26 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 54.70 2cr9 s ARG 77 Cb -0.13 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 2cr9 s ARG 77 CO 0.20 -0.15 -0.20 0.45 0.02 0.00 0.00 175.30 175.62 2cr9 s SER 78 N 1.15 3.65 0.00 0.23 0.15 -0.94 0.17 113.70 118.12 2cr9 s SER 78 Ca 0.02 -0.40 -0.00 0.00 0.70 0.00 0.00 55.95 56.27 2cr9 s SER 78 Cb -0.14 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2cr9 s SER 78 CO -0.10 0.29 0.00 -2.67 1.20 0.00 0.00 173.24 171.96 2cr9 n TRP 79 N 1.90 -0.38 0.00 3.44 2.14 -0.71 -1.14 117.44 122.69 2cr9 n TRP 79 Ca -0.16 -0.02 0.00 0.00 2.07 0.00 0.00 57.50 59.39 2cr9 n TRP 79 Cb 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 2cr9 n TRP 79 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2cr9 n GLY 80 N -0.00 3.05 3.78 -1.67 0.00 -1.23 -2.86 105.19 106.26 2cr9 n GLY 80 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 2cr9 n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr9 s ARG 81 N -3.92 -0.03 -0.09 1.61 0.52 -1.26 -3.00 118.95 112.77 2cr9 s ARG 81 Ca 0.00 -0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 2cr9 s ARG 81 Cb 0.00 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.71 2cr9 s ARG 81 CO 0.00 -2.90 -0.19 0.14 0.02 0.00 0.00 175.30 172.37 2cr9 s VAL 82 N -3.48 2.57 0.00 3.52 -7.23 -0.57 -4.50 120.40 110.70 2cr9 s VAL 82 Ca 0.72 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2cr9 s VAL 82 Cb -0.07 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.86 2cr9 s VAL 82 CO 0.54 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 176.50 2cr9 n GLY 83 N 3.18 0.68 0.00 2.32 0.00 -1.26 -4.41 105.19 105.70 2cr9 n GLY 83 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2cr9 n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cr9 n THR 84 N -2.62 0.00 0.46 2.61 -2.24 -1.26 -5.04 114.28 106.18 2cr9 n THR 84 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2cr9 n THR 84 Cb 0.00 -0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 67.61 2cr9 n THR 84 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2cr9 n VAL 85 N -0.06 0.00 -1.99 2.28 0.24 -1.26 -4.96 118.33 112.58 2cr9 n VAL 85 Ca 0.00 -0.26 -0.34 0.00 -2.04 0.00 0.00 64.34 61.70 2cr9 n VAL 85 Cb 0.00 0.50 0.03 0.00 -1.47 0.00 0.00 33.84 32.90 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2cr9 s ILE 86 N -3.17 3.10 0.00 1.34 1.01 -1.26 -5.00 121.20 117.21 2cr9 s ILE 86 Ca -0.00 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2cr9 s ILE 86 Cb 0.14 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2cr9 s ILE 86 CO 0.84 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.17 2cr9 n GLY 87 N -0.07 2.91 3.76 6.18 0.00 -1.26 -4.17 105.19 112.54 2cr9 n GLY 87 Ca 0.11 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 2cr9 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr9 s SER 88 N 0.00 -0.15 0.36 1.61 0.01 -1.14 -5.00 113.70 109.39 2cr9 s SER 88 Ca 0.00 -0.42 0.07 0.00 1.31 0.00 0.00 55.95 56.90 2cr9 s SER 88 Cb 0.00 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 2cr9 s SER 88 CO 0.00 -0.89 0.24 -0.46 0.41 0.00 0.00 173.24 172.54 2cr9 n ASN 89 N -0.54 -0.13 -3.76 2.44 6.94 -1.26 -1.74 115.26 117.22 2cr9 n ASN 89 Ca -0.06 -3.20 -0.12 0.00 -0.02 0.00 0.00 54.58 51.17 2cr9 n ASN 89 Cb 0.61 1.49 -0.12 0.00 -2.36 0.00 0.00 39.78 39.40 2cr9 n ASN 89 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2cr9 s LYS 90 N -3.43 0.31 -0.23 -3.83 2.20 0.13 -4.95 119.74 109.94 2cr9 s LYS 90 Ca 0.34 0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 56.40 2cr9 s LYS 90 Cb 0.02 0.08 0.07 0.00 -1.51 0.00 0.00 37.83 36.49 2cr9 s LYS 90 CO 0.24 -0.08 0.05 -1.17 -0.36 0.00 0.00 175.35 174.03 2cr9 s LEU 91 N 0.51 1.57 -0.11 5.43 2.96 -1.26 -1.37 118.68 126.41 2cr9 s LEU 91 Ca -0.03 -1.09 0.03 0.00 -0.22 0.00 0.00 54.13 52.82 2cr9 s LEU 91 Cb -0.04 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.94 2cr9 s LEU 91 CO -0.03 -0.33 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.86 2cr9 s GLU 92 N 1.76 2.68 -0.25 1.98 2.02 -1.18 -4.92 118.70 120.80 2cr9 s GLU 92 Ca 0.02 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 53.97 2cr9 s GLU 92 Cb -0.17 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 31.94 2cr9 s GLU 92 CO -0.14 0.06 1.11 -1.14 0.02 0.00 0.00 175.26 175.18 2cr9 s GLN 93 N 0.64 4.18 0.34 1.61 0.74 -1.26 -0.33 119.66 125.58 2cr9 s GLN 93 Ca -0.13 1.34 -0.24 0.00 0.05 0.00 0.00 55.36 56.37 2cr9 s GLN 93 Cb -0.16 -3.71 -0.10 0.00 1.10 0.00 0.00 33.01 30.14 2cr9 s GLN 93 CO 0.03 -0.75 0.93 -1.64 -0.55 0.00 0.00 175.29 173.31 2cr9 s MET 94 N 3.45 4.48 -0.07 1.67 -1.94 0.36 -4.96 119.30 122.29 2cr9 s MET 94 Ca 0.47 1.25 -0.27 0.00 -1.71 0.00 0.00 55.69 55.44 2cr9 s MET 94 Cb -0.16 -2.66 -0.23 0.00 2.01 0.00 0.00 34.83 33.80 2cr9 s MET 94 CO 0.11 0.21 1.02 -1.00 -0.01 0.00 0.00 175.02 175.36 2cr9 h PRO 95 N 2.88 0.04 -6.21 2.03 0.13 -1.94 -3.33 132.00 125.60 2cr9 h PRO 95 Ca -0.47 -0.04 -0.60 0.00 -0.87 0.00 0.00 66.00 64.02 2cr9 h PRO 95 Cb 1.19 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2cr9 h PRO 95 CO 0.64 0.78 -0.77 0.45 -0.23 0.00 0.00 178.00 178.87 2cr9 s SER 96 N -6.03 3.38 0.18 1.44 0.15 -1.26 -4.89 113.70 106.67 2cr9 s SER 96 Ca -0.17 -0.98 -0.13 0.00 0.70 0.00 0.00 55.95 55.37 2cr9 s SER 96 Cb -0.00 -0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.18 2cr9 s SER 96 CO 0.69 0.03 1.80 0.50 1.20 0.00 0.00 173.24 177.46 2cr9 h LYS 97 N 2.58 0.55 0.53 5.44 3.64 -1.90 -2.22 116.57 125.20 2cr9 h LYS 97 Ca -0.41 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 2cr9 h LYS 97 Cb 1.24 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2cr9 h LYS 97 CO 0.57 0.36 -0.27 0.93 -2.27 0.00 0.00 179.45 178.77 2cr9 h GLU 98 N 0.57 -0.71 -0.99 1.90 5.08 -1.98 -0.17 114.58 118.26 2cr9 h GLU 98 Ca 0.23 0.05 0.29 0.00 -1.00 0.00 0.00 59.36 58.92 2cr9 h GLU 98 Cb 0.10 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2cr9 h GLU 98 CO -0.14 -0.48 0.91 -0.44 -1.00 0.00 0.00 179.01 177.87 2cr9 h ASP 99 N -0.74 0.00 0.04 1.42 5.19 -1.89 0.93 116.42 121.36 2cr9 h ASP 99 Ca -0.07 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.29 2cr9 h ASP 99 Cb 0.58 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.09 2cr9 h ASP 99 CO 0.11 0.00 -0.21 0.00 -3.12 0.00 0.00 179.24 176.02 2cr9 h ALA 100 N 1.11 -0.02 -0.10 3.45 0.00 -0.61 -3.01 119.26 120.07 2cr9 h ALA 100 Ca 0.47 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2cr9 h ALA 100 Cb 2.29 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 20.08 2cr9 h ALA 100 CO -0.00 0.09 -0.05 0.82 0.00 0.00 0.00 179.25 180.11 2cr9 h ILE 101 N -0.84 0.83 -0.65 0.00 2.04 0.23 0.69 117.51 119.81 2cr9 h ILE 101 Ca -0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.96 2cr9 h ILE 101 Cb 1.16 0.83 -0.10 0.00 -0.74 0.00 0.00 36.82 37.97 2cr9 h ILE 101 CO 0.04 0.00 0.12 -0.33 0.00 0.00 0.00 178.15 177.98 2cr9 h GLU 102 N -0.05 0.23 0.40 2.37 5.08 -0.26 1.48 114.58 123.83 2cr9 h GLU 102 Ca 0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2cr9 h GLU 102 Cb 0.13 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2cr9 h GLU 102 CO -0.13 0.15 -0.19 1.25 -1.00 0.00 0.00 179.01 179.09 2cr9 h HIS 103 N 0.23 -0.50 0.00 4.33 2.76 -1.23 1.66 115.15 122.41 2cr9 h HIS 103 Ca 0.35 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 2cr9 h HIS 103 Cb 0.56 0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 2cr9 h HIS 103 CO -0.28 -0.27 -0.06 0.35 -1.30 0.00 0.00 177.93 176.37 2cr9 h PHE 104 N -0.59 0.00 0.20 5.26 3.04 0.22 1.25 116.94 126.32 2cr9 h PHE 104 Ca -0.05 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.54 2cr9 h PHE 104 Cb 0.44 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.97 2cr9 h PHE 104 CO -0.03 0.06 -1.72 0.52 -2.02 0.00 0.00 178.31 175.11 2cr9 h MET 105 N 0.00 0.42 -0.00 1.11 2.86 0.27 -3.18 114.93 116.41 2cr9 h MET 105 Ca -0.00 -0.72 -0.08 0.00 -2.06 0.00 0.00 59.70 56.84 2cr9 h MET 105 Cb 0.15 0.27 0.01 0.00 0.06 0.00 0.00 31.60 32.08 2cr9 h MET 105 CO 0.01 1.34 -0.32 -0.22 1.06 0.00 0.00 176.91 178.78 2cr9 h LYS 106 N 0.11 0.23 -0.15 1.72 3.64 0.30 -2.95 116.57 119.47 2cr9 h LYS 106 Ca -0.33 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 58.84 2cr9 h LYS 106 Cb 2.11 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.94 2cr9 h LYS 106 CO 0.19 0.96 -0.48 -0.07 -2.27 0.00 0.00 179.45 177.78 2cr9 h LEU 107 N -0.41 -1.54 -0.84 5.20 -0.00 0.14 1.06 115.31 118.92 2cr9 h LEU 107 Ca -0.04 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2cr9 h LEU 107 Cb 1.06 0.60 0.00 0.00 -0.00 0.00 0.00 40.66 42.33 2cr9 h LEU 107 CO 0.06 -0.42 0.05 0.00 -0.00 0.00 0.00 178.44 178.13 2cr9 n TYR 108 N -5.07 0.43 0.14 1.13 4.19 -1.20 0.52 117.16 117.29 2cr9 n TYR 108 Ca -0.05 0.22 0.11 0.00 3.31 0.00 0.00 57.90 61.50 2cr9 n TYR 108 Cb 0.33 -0.82 -0.08 0.00 0.49 0.00 0.00 39.34 39.25 2cr9 n TYR 108 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 2cr9 n GLU 109 N -1.94 0.57 0.01 2.98 2.13 0.30 -3.08 120.64 121.60 2cr9 n GLU 109 Ca -0.01 -0.05 -0.08 0.00 0.66 0.00 0.00 57.16 57.68 2cr9 n GLU 109 Cb 0.07 -1.64 -0.13 0.00 0.27 0.00 0.00 31.44 30.01 2cr9 n GLU 109 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2cr9 h GLU 110 N 0.00 0.00 0.00 5.31 4.11 0.58 -1.66 114.58 122.92 2cr9 h GLU 110 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2cr9 h GLU 110 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2cr9 h GLU 110 CO 0.00 0.66 -0.03 0.87 0.07 0.00 0.00 179.01 180.58 2cr9 h LYS 111 N 0.00 0.00 0.00 1.06 1.79 -1.41 -3.36 116.57 114.65 2cr9 h LYS 111 Ca -0.20 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2cr9 h LYS 111 Cb 1.94 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.58 2cr9 h LYS 111 CO 0.10 0.00 -0.09 1.79 -1.08 0.00 0.00 179.45 180.17 2cr9 h THR 112 N -0.36 0.30 0.00 -0.16 1.35 -1.62 -2.60 112.91 109.82 2cr9 h THR 112 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2cr9 h THR 112 Cb 0.03 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2cr9 h THR 112 CO 0.00 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 2cr9 n GLY 113 N -0.29 2.27 3.54 5.82 0.00 -0.63 -4.58 105.19 111.32 2cr9 n GLY 113 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2cr9 n GLY 113 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cr9 s ASN 114 N -3.63 4.32 0.77 1.61 0.01 -1.21 -4.87 114.94 111.94 2cr9 s ASN 114 Ca 0.00 -0.23 -0.14 0.00 -0.71 0.00 0.00 52.86 51.77 2cr9 s ASN 114 Cb 0.00 -0.92 0.05 0.00 0.41 0.00 0.00 41.25 40.79 2cr9 s ASN 114 CO 0.00 0.28 1.13 0.00 -1.51 0.00 0.00 177.10 177.00 2cr9 n ALA 115 N 1.64 -0.03 -0.04 0.60 0.00 -1.26 -3.83 120.51 117.60 2cr9 n ALA 115 Ca -0.16 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 52.90 2cr9 n ALA 115 Cb 0.52 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 2cr9 n ALA 115 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2cr9 h TRP 116 N -0.60 0.24 -3.42 0.00 2.91 -1.87 -3.32 115.95 109.89 2cr9 h TRP 116 Ca -0.47 -0.04 -0.73 0.00 1.13 0.00 0.00 58.89 58.78 2cr9 h TRP 116 Cb 1.31 -0.06 -0.33 0.00 -0.51 0.00 0.00 29.16 29.57 2cr9 h TRP 116 CO 0.44 0.42 0.03 -1.01 -1.03 0.00 0.00 178.44 177.29 2cr9 s HIS 117 N -5.10 3.95 0.23 2.65 3.76 -1.26 -5.01 115.29 114.50 2cr9 s HIS 117 Ca -0.14 -2.88 -0.04 0.00 -0.15 0.00 0.00 55.06 51.85 2cr9 s HIS 117 Cb 0.06 -3.41 -0.03 0.00 1.11 0.00 0.00 32.58 30.31 2cr9 s HIS 117 CO 0.71 -0.81 0.25 0.45 -0.85 0.00 0.00 174.74 174.48 2cr9 s SER 118 N 0.38 0.21 0.83 1.40 0.15 -1.25 -5.16 113.70 110.25 2cr9 s SER 118 Ca 0.27 -1.29 -0.03 0.00 0.70 0.00 0.00 55.95 55.59 2cr9 s SER 118 Cb -0.09 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.73 2cr9 s SER 118 CO -0.11 -0.95 0.11 0.29 1.20 0.00 0.00 173.24 173.79 2cr9 n LYS 119 N -0.33 -1.35 -1.23 5.44 5.02 -1.26 -4.81 118.16 119.65 2cr9 n LYS 119 Ca 0.01 -0.19 -0.39 0.00 -2.02 0.00 0.00 58.31 55.72 2cr9 n LYS 119 Cb 0.64 -0.30 0.01 0.00 -0.02 0.00 0.00 35.03 35.37 2cr9 n LYS 119 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2cr9 n ASN 120 N -2.46 -3.85 -4.77 4.39 3.02 -1.26 -4.88 115.26 105.45 2cr9 n ASN 120 Ca 0.02 0.61 -0.39 0.00 -0.03 0.00 0.00 54.58 54.79 2cr9 n ASN 120 Cb 0.08 -0.85 -0.06 0.00 -0.61 0.00 0.00 39.78 38.34 2cr9 n ASN 120 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2cr9 s PHE 121 N -2.00 3.69 -0.41 3.10 5.36 -1.26 -5.04 117.98 121.42 2cr9 s PHE 121 Ca 0.55 1.18 -0.15 0.00 -0.96 0.00 0.00 56.93 57.55 2cr9 s PHE 121 Cb -0.46 -2.57 0.02 0.00 -0.34 0.00 0.00 43.02 39.67 2cr9 s PHE 121 CO 0.68 0.39 0.30 0.99 -1.46 0.00 0.00 175.22 176.11 2cr9 s THR 122 N -0.31 5.20 -0.73 0.12 2.01 -1.26 -5.01 115.64 115.66 2cr9 s THR 122 Ca 0.30 -0.70 -0.26 0.00 0.31 0.00 0.00 61.69 61.34 2cr9 s THR 122 Cb -0.18 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2cr9 s THR 122 CO 0.17 -0.32 2.02 -0.75 -0.69 0.00 0.00 174.62 175.04 2cr9 s LYS 123 N 1.67 2.42 0.56 4.92 2.36 -1.26 -4.92 119.74 125.49 2cr9 s LYS 123 Ca 0.05 0.32 -0.02 0.00 -2.55 0.00 0.00 55.97 53.77 2cr9 s LYS 123 Cb -0.19 -4.72 0.02 0.00 -1.05 0.00 0.00 37.83 31.89 2cr9 s LYS 123 CO 0.10 -3.24 0.82 0.71 1.55 0.00 0.00 175.35 175.28 2cr9 s TYR 124 N 10.46 3.04 -0.08 4.03 2.02 -1.26 -5.04 117.35 130.53 2cr9 s TYR 124 Ca 0.74 0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 57.41 2cr9 s TYR 124 Cb -0.11 -2.71 -0.03 0.00 -0.40 0.00 0.00 41.96 38.71 2cr9 s TYR 124 CO 0.11 -0.82 1.23 -1.25 -1.57 0.00 0.00 175.55 173.25 2cr9 s PRO 125 N -4.84 4.31 0.00 -1.71 0.04 -1.26 -3.12 135.00 128.42 2cr9 s PRO 125 Ca 0.55 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2cr9 s PRO 125 Cb -0.10 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2cr9 s PRO 125 CO 0.41 -0.53 0.00 1.63 0.04 0.00 0.00 177.00 178.55 2cr9 n LYS 126 N 5.59 0.00 -1.67 4.56 5.02 -1.26 -4.97 118.16 125.43 2cr9 n LYS 126 Ca 0.12 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.95 2cr9 n LYS 126 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 2cr9 n LYS 126 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2cr9 n LYS 127 N 0.00 2.19 -2.36 1.97 4.76 -1.18 -4.92 118.16 118.61 2cr9 n LYS 127 Ca 0.00 0.79 -0.35 0.00 -2.87 0.00 0.00 58.31 55.88 2cr9 n LYS 127 Cb 0.00 -2.57 -0.01 0.00 -1.84 0.00 0.00 35.03 30.60 2cr9 n LYS 127 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2cr9 s PHE 128 N 1.28 2.87 0.34 2.13 0.08 -0.98 -4.60 117.98 119.10 2cr9 s PHE 128 Ca 0.80 1.56 0.10 0.00 0.12 0.00 0.00 56.93 59.51 2cr9 s PHE 128 Cb -0.67 -3.24 -0.06 0.00 -0.57 0.00 0.00 43.02 38.48 2cr9 s PHE 128 CO 0.39 -1.27 -0.10 1.52 -0.10 0.00 0.00 175.22 175.66 2cr9 s TYR 129 N -1.76 2.39 -0.13 0.36 -0.85 -1.06 -3.72 117.35 112.59 2cr9 s TYR 129 Ca 0.68 -0.48 -0.29 0.00 -0.52 0.00 0.00 57.07 56.45 2cr9 s TYR 129 Cb -0.23 -1.35 -0.02 0.00 0.38 0.00 0.00 41.96 40.75 2cr9 s TYR 129 CO 0.27 0.60 1.25 -1.25 -1.52 0.00 0.00 175.55 174.90 2cr9 s PRO 130 N -3.60 4.27 -0.00 -3.49 0.04 -1.26 -0.10 135.00 130.86 2cr9 s PRO 130 Ca 0.32 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 63.04 2cr9 s PRO 130 Cb 0.02 -3.70 -0.00 0.00 0.04 0.00 0.00 34.50 30.85 2cr9 s PRO 130 CO 0.16 -0.63 0.30 -0.07 0.04 0.00 0.00 177.00 176.80 2cr9 h LEU 131 N 9.25 -0.01 -8.89 -3.56 3.38 -1.30 -3.43 115.31 110.76 2cr9 h LEU 131 Ca -0.29 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.10 2cr9 h LEU 131 Cb 1.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2cr9 h LEU 131 CO 0.94 0.00 1.25 -0.70 0.09 0.00 0.00 178.44 180.03 2cr9 s GLU 132 N -1.62 3.40 0.38 1.13 2.12 -1.26 -4.97 118.70 117.88 2cr9 s GLU 132 Ca -0.00 1.44 -0.12 0.00 0.36 0.00 0.00 54.97 56.66 2cr9 s GLU 132 Cb 0.00 -4.17 -0.07 0.00 0.26 0.00 0.00 34.13 30.15 2cr9 s GLU 132 CO 0.01 -1.77 0.76 0.42 -0.54 0.00 0.00 175.26 174.13 2cr9 s ILE 133 N 6.62 4.76 0.15 -3.70 -1.09 -1.26 -4.93 121.20 121.75 2cr9 s ILE 133 Ca 0.78 0.70 -0.19 0.00 -2.23 0.00 0.00 60.65 59.72 2cr9 s ILE 133 Cb -0.23 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.00 2cr9 s ILE 133 CO 0.33 -0.43 0.50 -0.44 -1.23 0.00 0.00 174.94 173.67 2cr9 s SER 134 N -2.93 -0.37 0.14 3.58 0.01 -1.26 -5.15 113.70 107.72 2cr9 s SER 134 Ca 0.52 -0.22 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 2cr9 s SER 134 Cb -0.10 0.54 -0.07 0.00 0.21 0.00 0.00 66.02 66.60 2cr9 s SER 134 CO 0.28 -0.93 1.06 -0.83 0.41 0.00 0.00 173.24 173.22 2cr9 s GLY 135 N -2.79 2.87 0.43 3.44 0.00 -1.26 -5.02 107.32 104.98 2cr9 s GLY 135 Ca 0.03 0.72 -0.23 0.00 0.00 0.00 0.00 44.72 45.25 2cr9 s GLY 135 CO -0.11 1.62 1.05 2.56 0.00 0.00 0.00 173.10 178.22 2cr9 s PRO 136 N -0.07 4.04 0.01 2.90 0.04 -1.26 -5.06 135.00 135.59 2cr9 s PRO 136 Ca 0.49 1.47 0.04 0.00 0.04 0.00 0.00 61.00 63.04 2cr9 s PRO 136 Cb -0.27 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 2cr9 s PRO 136 CO 0.32 -0.24 -0.13 0.45 0.04 0.00 0.00 177.00 177.44 2cr9 s SER 137 N -1.70 1.57 -0.29 6.66 0.15 -1.26 -5.13 113.70 113.70 2cr9 s SER 137 Ca 0.61 -0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 2cr9 s SER 137 Cb -0.20 -0.14 0.12 0.00 -1.71 0.00 0.00 66.02 64.08 2cr9 s SER 137 CO 0.25 0.11 0.67 -0.44 1.20 0.00 0.00 173.24 175.03 2cr9 s SER 138 N -0.63 -1.08 0.00 5.45 0.01 -1.26 -5.17 113.70 111.03 2cr9 s SER 138 Ca 0.04 1.53 0.00 0.00 1.31 0.00 0.00 55.95 58.83 2cr9 s SER 138 Cb -0.06 2.04 0.00 0.00 0.21 0.00 0.00 66.02 68.21 2cr9 s SER 138 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04