#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 -0.05 0.04 1.61 0.01 -1.26 -5.19 113.70 108.86 2cr9 s SER 2 Ca 0.00 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 2cr9 s SER 2 Cb 0.00 0.17 0.10 0.00 0.21 0.00 0.00 66.02 66.50 2cr9 s SER 2 CO 0.00 -0.32 1.17 -0.55 0.41 0.00 0.00 173.24 173.95 2cr9 s SER 3 N -3.10 -0.10 0.10 2.44 0.15 -1.26 -5.19 113.70 106.73 2cr9 s SER 3 Ca 0.16 -0.23 -0.26 0.00 0.70 0.00 0.00 55.95 56.33 2cr9 s SER 3 Cb 0.04 0.28 0.09 0.00 -1.71 0.00 0.00 66.02 64.71 2cr9 s SER 3 CO -0.03 -0.51 1.12 -0.83 1.20 0.00 0.00 173.24 174.19 2cr9 s GLY 4 N -2.95 -0.11 0.09 9.45 0.00 -1.26 -5.19 107.32 107.35 2cr9 s GLY 4 Ca 0.13 0.03 -0.27 0.00 0.00 0.00 0.00 44.72 44.62 2cr9 s GLY 4 CO -0.02 2.12 1.09 -0.45 0.00 0.00 0.00 173.10 175.84 2cr9 s SER 5 N -3.31 -0.12 -0.04 1.64 0.15 -1.26 -5.19 113.70 105.57 2cr9 s SER 5 Ca 0.20 -0.32 -0.31 0.00 0.70 0.00 0.00 55.95 56.22 2cr9 s SER 5 Cb -0.00 0.36 0.12 0.00 -1.71 0.00 0.00 66.02 64.79 2cr9 s SER 5 CO 0.02 -0.67 1.22 -0.55 1.20 0.00 0.00 173.24 174.46 2cr9 s SER 6 N -3.01 -0.10 -0.30 5.45 0.15 -1.26 -5.17 113.70 109.47 2cr9 s SER 6 Ca 0.14 -0.12 -0.15 0.00 0.70 0.00 0.00 55.95 56.52 2cr9 s SER 6 Cb 0.01 0.20 0.17 0.00 -1.71 0.00 0.00 66.02 64.69 2cr9 s SER 6 CO 0.00 -0.35 1.03 -0.83 1.20 0.00 0.00 173.24 174.29 2cr9 s GLY 7 N -2.75 -0.16 0.32 9.45 0.00 -1.26 -5.18 107.32 107.74 2cr9 s GLY 7 Ca 0.12 3.08 0.10 0.00 0.00 0.00 0.00 44.72 48.02 2cr9 s GLY 7 CO -0.04 3.34 -0.05 0.54 0.00 0.00 0.00 173.10 176.89 2cr9 s LYS 8 N 2.47 1.99 -0.06 2.90 -0.14 -1.26 -5.14 119.74 120.49 2cr9 s LYS 8 Ca -0.01 -1.73 -0.31 0.00 -1.36 0.00 0.00 55.97 52.55 2cr9 s LYS 8 Cb -0.06 -1.90 0.12 0.00 -1.68 0.00 0.00 37.83 34.31 2cr9 s LYS 8 CO -0.17 0.21 1.19 0.45 -0.76 0.00 0.00 175.35 176.27 2cr9 s SER 9 N -3.65 -0.13 -0.23 2.83 0.15 -1.26 -5.19 113.70 106.22 2cr9 s SER 9 Ca 0.33 -0.10 -0.31 0.00 0.70 0.00 0.00 55.95 56.56 2cr9 s SER 9 Cb -0.02 0.21 0.16 0.00 -1.71 0.00 0.00 66.02 64.66 2cr9 s SER 9 CO 0.18 -0.37 1.24 -0.70 1.20 0.00 0.00 173.24 174.79 2cr9 s GLU 10 N -2.58 0.25 0.70 5.44 2.12 -1.26 -5.17 118.70 118.20 2cr9 s GLU 10 Ca 0.11 0.00 -0.11 0.00 0.36 0.00 0.00 54.97 55.33 2cr9 s GLU 10 Cb 0.01 0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.53 2cr9 s GLU 10 CO -0.04 -0.09 1.07 -1.59 -0.54 0.00 0.00 175.26 174.07 2cr9 s LYS 11 N -1.49 2.87 -0.29 4.30 -2.85 -1.26 -5.08 119.74 115.94 2cr9 s LYS 11 Ca 0.07 0.72 -0.16 0.00 -1.00 0.00 0.00 55.97 55.60 2cr9 s LYS 11 Cb -0.01 -2.00 0.13 0.00 -2.06 0.00 0.00 37.83 33.89 2cr9 s LYS 11 CO -0.05 -1.09 0.89 0.50 0.10 0.00 0.00 175.35 175.71 2cr9 s ARG 12 N -5.17 0.48 1.16 1.78 3.00 -1.26 -5.17 118.95 113.77 2cr9 s ARG 12 Ca 0.58 0.83 -0.13 0.00 -1.00 0.00 0.00 55.73 56.01 2cr9 s ARG 12 Cb -0.13 0.10 0.28 0.00 0.00 0.00 0.00 34.95 35.20 2cr9 s ARG 12 CO 0.54 -0.10 1.03 1.41 0.00 0.00 0.00 175.30 178.18 2cr9 s MET 13 N 1.41 -0.87 0.13 5.12 1.75 -1.26 -5.06 119.30 120.53 2cr9 s MET 13 Ca -0.09 0.79 -0.25 0.00 -1.25 0.00 0.00 55.69 54.89 2cr9 s MET 13 Cb -0.04 -1.56 0.07 0.00 2.84 0.00 0.00 34.83 36.13 2cr9 s MET 13 CO -0.16 -3.68 0.84 0.15 -0.65 0.00 0.00 175.02 171.52 2cr9 s LYS 14 N -4.51 1.20 -0.12 4.11 -0.14 -1.26 -5.16 119.74 113.87 2cr9 s LYS 14 Ca 0.68 -0.58 0.03 0.00 -1.36 0.00 0.00 55.97 54.74 2cr9 s LYS 14 Cb -0.24 0.46 -0.00 0.00 -1.68 0.00 0.00 37.83 36.37 2cr9 s LYS 14 CO 0.64 -0.54 -0.21 -0.51 -0.76 0.00 0.00 175.35 173.97 2cr9 s LEU 15 N -2.77 2.23 0.18 3.17 2.01 -1.26 -5.12 118.68 117.11 2cr9 s LEU 15 Ca 0.08 -0.52 0.10 0.00 0.01 0.00 0.00 54.13 53.80 2cr9 s LEU 15 Cb -0.02 -1.46 -0.04 0.00 0.01 0.00 0.00 46.19 44.67 2cr9 s LEU 15 CO -0.03 0.14 -0.15 0.42 1.01 0.00 0.00 176.35 177.74 2cr9 s THR 16 N 0.47 2.88 0.25 5.49 -4.23 -1.26 -5.13 115.64 114.11 2cr9 s THR 16 Ca -0.14 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.54 2cr9 s THR 16 Cb -0.17 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 71.21 2cr9 s THR 16 CO 0.06 -0.09 0.51 -0.76 -0.54 0.00 0.00 174.62 173.79 2cr9 s LEU 17 N -2.72 4.12 0.09 4.79 1.43 -1.26 -5.02 118.68 120.11 2cr9 s LEU 17 Ca 0.23 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2cr9 s LEU 17 Cb -0.09 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2cr9 s LEU 17 CO 0.13 -0.13 0.00 1.17 0.23 0.00 0.00 176.35 177.75 2cr9 n LYS 18 N -0.66 0.00 -0.78 1.70 0.00 -1.26 -5.09 118.16 112.07 2cr9 n LYS 18 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 57.99 2cr9 n LYS 18 Cb 0.53 -0.22 0.19 0.00 0.00 0.00 0.00 35.03 35.53 2cr9 n LYS 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2cr9 s GLY 19 N -3.83 1.62 0.00 3.14 0.00 -1.26 -4.96 107.32 102.04 2cr9 s GLY 19 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2cr9 s GLY 19 CO 0.00 0.72 0.00 0.61 0.00 0.00 0.00 173.10 174.43 2cr9 n GLY 20 N 0.04 -0.56 3.75 0.20 0.00 -1.26 -5.11 105.19 102.24 2cr9 n GLY 20 Ca 0.08 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.00 3.49 -0.18 4.61 0.00 -1.26 -5.12 121.76 122.30 2cr9 s ALA 21 Ca 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 51.96 50.20 2cr9 s ALA 21 Cb 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2cr9 s ALA 21 CO 0.00 0.11 0.02 0.00 0.00 0.00 0.00 175.76 175.89 2cr9 s ALA 22 N -2.34 3.17 0.75 0.00 0.00 -1.26 -4.07 121.76 118.01 2cr9 s ALA 22 Ca 0.36 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 51.32 2cr9 s ALA 22 Cb -0.05 -1.78 0.05 0.00 0.00 0.00 0.00 23.12 21.34 2cr9 s ALA 22 CO 0.23 0.07 1.19 0.28 0.00 0.00 0.00 175.76 177.53 2cr9 n VAL 23 N 3.80 2.95 -2.65 0.00 0.31 -1.26 -4.89 118.33 116.58 2cr9 n VAL 23 Ca -0.17 -0.31 -0.34 0.00 -0.01 0.00 0.00 64.34 63.51 2cr9 n VAL 23 Cb 0.52 -1.26 -0.05 0.00 -0.91 0.00 0.00 33.84 32.14 2cr9 n VAL 23 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cr9 s ASP 24 N -1.85 6.69 0.37 4.52 2.15 -1.26 -4.53 116.67 122.77 2cr9 s ASP 24 Ca 0.76 1.87 0.27 0.00 0.43 0.00 0.00 52.55 55.88 2cr9 s ASP 24 Cb -0.32 -2.56 0.88 0.00 -0.30 0.00 0.00 42.92 40.62 2cr9 s ASP 24 CO 0.48 -0.53 1.78 1.55 -0.17 0.00 0.00 175.17 178.27 2cr9 h PRO 25 N 1.99 0.00 0.00 4.34 0.13 -1.95 -2.79 132.00 133.71 2cr9 h PRO 25 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 2cr9 h PRO 25 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2cr9 h PRO 25 CO 0.61 0.00 -0.49 -0.44 -0.23 0.00 0.00 178.00 177.44 2cr9 h ASP 26 N 0.00 0.00 1.31 1.44 3.32 -2.03 -2.78 116.42 117.68 2cr9 h ASP 26 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2cr9 h ASP 26 Cb 0.66 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2cr9 h ASP 26 CO 0.00 0.49 -0.69 0.77 -1.72 0.00 0.00 179.24 178.09 2cr9 h SER 27 N 0.00 0.00 0.00 6.45 4.64 -1.89 -3.47 113.55 119.27 2cr9 h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cr9 h SER 27 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2cr9 h SER 27 CO 0.06 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 2cr9 n GLY 28 N 1.27 3.11 0.00 -0.77 0.00 -1.05 -4.79 105.19 102.96 2cr9 n GLY 28 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 -0.42 0.99 4.32 -1.26 -3.12 117.00 117.52 2cr9 n LEU 29 Ca 0.00 0.43 0.38 0.00 -0.02 0.00 0.00 56.01 56.80 2cr9 n LEU 29 Cb 0.00 -0.43 0.73 0.00 -1.62 0.00 0.00 43.42 42.10 2cr9 n LEU 29 CO 0.00 -0.20 1.34 1.05 -1.22 0.00 0.00 177.39 178.36 2cr9 h GLU 30 N 0.00 0.05 -0.00 3.23 4.11 -1.74 0.45 114.58 120.68 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 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2cr9 h GLU 30 CO 0.00 0.03 -0.00 -2.39 0.07 0.00 0.00 179.01 176.72 2cr9 n HIS 31 N -4.22 0.00 0.00 2.06 1.44 -1.18 -4.78 115.22 108.54 2cr9 n HIS 31 Ca 0.31 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 2cr9 n HIS 31 Cb 1.39 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.50 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 -0.71 0.00 -2.19 4.39 7.64 0.12 -5.06 113.62 117.82 2cr9 n SER 32 Ca 0.00 0.07 -0.01 0.00 1.01 0.00 0.00 58.87 59.94 2cr9 n SER 32 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr9 n ALA 33 N -2.18 0.07 -2.56 -0.43 0.00 0.99 -4.53 120.51 111.88 2cr9 n ALA 33 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 2cr9 n ALA 33 Cb 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.42 2cr9 n ALA 33 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2cr9 s HIS 34 N 0.52 0.17 0.26 0.00 -3.43 -1.13 -4.30 115.29 107.38 2cr9 s HIS 34 Ca 0.03 -0.58 -0.29 0.00 -0.80 0.00 0.00 55.06 53.42 2cr9 s HIS 34 Cb -0.00 -0.09 -0.14 0.00 -1.43 0.00 0.00 32.58 30.92 2cr9 s HIS 34 CO 0.02 -0.51 1.10 0.28 -2.00 0.00 0.00 174.74 173.63 2cr9 n VAL 35 N 0.09 1.63 -2.52 -5.38 0.31 -1.26 -0.67 118.33 110.52 2cr9 n VAL 35 Ca -0.16 -0.41 -0.33 0.00 -0.01 0.00 0.00 64.34 63.43 2cr9 n VAL 35 Cb 0.62 -1.03 -0.04 0.00 -0.91 0.00 0.00 33.84 32.48 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 0.40 3.80 -0.02 7.52 2.96 0.50 -4.71 118.68 129.13 2cr9 s LEU 36 Ca 0.63 1.83 0.01 0.00 -0.22 0.00 0.00 54.13 56.38 2cr9 s LEU 36 Cb -0.73 -4.55 0.01 0.00 0.50 0.00 0.00 46.19 41.43 2cr9 s LEU 36 CO 0.57 -0.73 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.23 2cr9 s GLU 37 N -3.41 0.48 0.00 1.98 2.02 -1.26 -1.10 118.70 117.41 2cr9 s GLU 37 Ca 0.65 -0.09 -0.14 0.00 0.02 0.00 0.00 54.97 55.41 2cr9 s GLU 37 Cb -0.14 -0.52 0.02 0.00 0.10 0.00 0.00 34.13 33.58 2cr9 s GLU 37 CO 0.22 -0.01 0.29 0.21 0.02 0.00 0.00 175.26 175.99 2cr9 s LYS 38 N 0.45 0.69 -1.59 1.61 2.20 -0.45 -4.91 119.74 117.76 2cr9 s LYS 38 Ca -0.05 -0.31 -0.03 0.00 -0.36 0.00 0.00 55.97 55.22 2cr9 s LYS 38 Cb -0.08 0.30 0.03 0.00 -1.51 0.00 0.00 37.83 36.57 2cr9 s LYS 38 CO -0.00 -0.20 0.07 0.41 -0.36 0.00 0.00 175.35 175.26 2cr9 n GLY 39 N 1.07 -0.15 3.97 5.54 0.00 -1.26 0.17 105.19 114.53 2cr9 n GLY 39 Ca -0.21 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.41 -0.47 3.20 -0.02 0.00 -1.26 -4.96 105.19 99.26 2cr9 n GLY 40 Ca -0.28 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.65 0.91 -0.07 1.61 -0.14 0.45 -5.15 119.74 110.69 2cr9 s LYS 41 Ca 0.63 -1.34 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 2cr9 s LYS 41 Cb -0.32 -0.39 -0.03 0.00 -1.68 0.00 0.00 37.83 35.41 2cr9 s LYS 41 CO 0.85 0.03 -0.10 0.08 -0.76 0.00 0.00 175.35 175.44 2cr9 s VAL 42 N -3.34 3.40 -1.05 3.17 1.01 -1.26 -1.34 120.40 120.98 2cr9 s VAL 42 Ca 0.12 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2cr9 s VAL 42 Cb 0.03 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2cr9 s VAL 42 CO -0.02 0.58 2.78 0.49 0.00 0.00 0.00 175.10 178.93 2cr9 n PHE 43 N 2.46 2.00 -3.65 5.22 3.01 -0.26 -4.75 117.46 121.49 2cr9 n PHE 43 Ca -0.18 -2.54 -0.29 0.00 1.01 0.00 0.00 57.45 55.45 2cr9 n PHE 43 Cb 0.53 -1.88 -0.14 0.00 -0.01 0.00 0.00 39.48 37.97 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 1.05 3.73 -0.07 4.37 0.15 -1.26 -2.04 113.70 119.63 2cr9 s SER 44 Ca 0.61 -1.73 0.05 0.00 0.70 0.00 0.00 55.95 55.57 2cr9 s SER 44 Cb 0.24 -0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 2cr9 s SER 44 CO -0.10 -0.39 -0.21 0.00 1.20 0.00 0.00 173.24 173.74 2cr9 s ALA 45 N 1.52 2.32 -0.46 5.45 0.00 -0.67 -5.03 121.76 124.90 2cr9 s ALA 45 Ca 0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 2cr9 s ALA 45 Cb -0.18 -0.80 0.12 0.00 0.00 0.00 0.00 23.12 22.25 2cr9 s ALA 45 CO -0.22 0.42 0.27 0.99 0.00 0.00 0.00 175.76 177.22 2cr9 s THR 46 N -0.21 3.50 0.30 0.00 2.01 -1.26 -1.57 115.64 118.41 2cr9 s THR 46 Ca -0.01 -2.17 -0.07 0.00 0.31 0.00 0.00 61.69 59.74 2cr9 s THR 46 Cb -0.13 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2cr9 s THR 46 CO 0.03 -0.74 0.60 -0.76 -0.69 0.00 0.00 174.62 173.06 2cr9 s LEU 47 N 0.97 4.04 -0.12 4.42 1.43 0.86 -0.95 118.68 129.32 2cr9 s LEU 47 Ca 0.09 0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 53.98 2cr9 s LEU 47 Cb -0.23 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 42.39 2cr9 s LEU 47 CO -0.04 -0.21 0.27 -0.83 0.23 0.00 0.00 176.35 175.77 2cr9 s GLY 48 N -2.99 -0.14 0.03 -3.19 0.00 0.12 -0.93 107.32 100.22 2cr9 s GLY 48 Ca 0.46 0.99 0.08 0.00 0.00 0.00 0.00 44.72 46.25 2cr9 s GLY 48 CO 0.28 1.72 -0.22 -2.27 0.00 0.00 0.00 173.10 172.61 2cr9 s LEU 49 N 1.98 2.13 -0.03 0.66 1.98 0.14 -3.57 118.68 121.97 2cr9 s LEU 49 Ca -0.03 -0.50 0.02 0.00 -2.89 0.00 0.00 54.13 50.73 2cr9 s LEU 49 Cb -0.11 -1.08 0.01 0.00 0.66 0.00 0.00 46.19 45.67 2cr9 s LEU 49 CO -0.09 0.21 -0.06 -0.69 -1.89 0.00 0.00 176.35 173.83 2cr9 s VAL 50 N -0.72 0.60 0.03 1.68 1.01 -1.26 0.20 120.40 121.93 2cr9 s VAL 50 Ca 0.09 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 2cr9 s VAL 50 Cb -0.09 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2cr9 s VAL 50 CO 0.01 0.22 0.84 -1.81 0.00 0.00 0.00 175.10 174.35 2cr9 s ASP 51 N 0.54 7.26 -0.10 3.32 1.01 0.20 -4.89 116.67 124.01 2cr9 s ASP 51 Ca -0.07 1.51 -0.04 0.00 0.71 0.00 0.00 52.55 54.66 2cr9 s ASP 51 Cb -0.11 -2.50 -0.26 0.00 1.01 0.00 0.00 42.92 41.06 2cr9 s ASP 51 CO 0.00 -0.08 0.43 0.00 0.21 0.00 0.00 175.17 175.73 2cr9 n ILE 52 N 3.21 1.76 -0.04 0.77 3.06 -1.26 -2.28 119.36 124.58 2cr9 n ILE 52 Ca 0.00 -0.68 -0.09 0.00 -2.50 0.00 0.00 62.75 59.48 2cr9 n ILE 52 Cb 0.50 -1.62 -0.08 0.00 0.54 0.00 0.00 39.64 38.98 2cr9 n ILE 52 CO 0.00 0.00 0.00 -0.37 -2.50 0.00 0.00 176.55 173.68 2cr9 h VAL 53 N 0.06 1.11 0.00 9.51 -1.51 -1.96 -3.24 116.25 120.22 2cr9 h VAL 53 Ca -0.40 -1.73 0.00 0.00 -1.23 0.00 0.00 66.70 63.34 2cr9 h VAL 53 Cb 2.03 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 33.26 2cr9 h VAL 53 CO 0.09 0.36 0.00 0.11 -1.23 0.00 0.00 177.57 176.90 2cr9 h LYS 54 N -0.96 0.00 -6.13 5.19 1.79 -1.99 -3.46 116.57 111.01 2cr9 h LYS 54 Ca -0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.02 2cr9 h LYS 54 Cb 0.62 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.30 2cr9 h LYS 54 CO 0.01 0.00 -0.74 0.41 -1.08 0.00 0.00 179.45 178.04 2cr9 n GLY 55 N -0.11 -0.48 3.59 3.86 0.00 -0.97 -4.98 105.19 106.10 2cr9 n GLY 55 Ca 0.01 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.35 1.90 0.19 2.61 -4.23 -0.99 -4.94 115.64 106.83 2cr9 s THR 56 Ca 0.55 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 59.13 2cr9 s THR 56 Cb -0.27 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 2cr9 s THR 56 CO 0.80 -0.03 -0.12 0.21 -0.54 0.00 0.00 174.62 174.94 2cr9 s ASN 57 N -3.66 4.08 -0.08 3.99 3.84 -1.26 0.60 114.94 122.45 2cr9 s ASN 57 Ca 0.35 -0.65 -0.16 0.00 0.21 0.00 0.00 52.86 52.61 2cr9 s ASN 57 Cb 0.09 -0.62 0.03 0.00 -0.55 0.00 0.00 41.25 40.20 2cr9 s ASN 57 CO 0.17 0.10 0.38 -0.44 -2.79 0.00 0.00 177.10 174.52 2cr9 s SER 58 N -2.84 -0.33 -0.10 -4.21 0.01 0.52 -3.83 113.70 102.92 2cr9 s SER 58 Ca 0.24 0.46 -0.03 0.00 1.31 0.00 0.00 55.95 57.93 2cr9 s SER 58 Cb -0.08 0.55 0.04 0.00 0.21 0.00 0.00 66.02 66.74 2cr9 s SER 58 CO 0.14 -0.32 0.05 -0.72 0.41 0.00 0.00 173.24 172.80 2cr9 s TYR 59 N -0.62 0.39 -0.31 2.43 1.13 -0.61 0.23 117.35 119.99 2cr9 s TYR 59 Ca -0.07 -0.16 -0.07 0.00 -1.41 0.00 0.00 57.07 55.37 2cr9 s TYR 59 Cb -0.04 -0.70 0.02 0.00 -1.10 0.00 0.00 41.96 40.15 2cr9 s TYR 59 CO 0.03 -0.37 0.09 -0.47 -2.51 0.00 0.00 175.55 172.32 2cr9 s TYR 60 N 2.07 3.19 -0.11 -3.49 6.14 -0.11 -3.74 117.35 121.29 2cr9 s TYR 60 Ca 0.03 -1.16 -0.03 0.00 0.64 0.00 0.00 57.07 56.55 2cr9 s TYR 60 Cb -0.14 -2.26 -0.03 0.00 0.42 0.00 0.00 41.96 39.94 2cr9 s TYR 60 CO -0.06 -0.64 0.02 0.15 0.64 0.00 0.00 175.55 175.66 2cr9 s LYS 61 N 1.46 3.26 -0.11 4.97 -0.14 -0.66 -0.10 119.74 128.41 2cr9 s LYS 61 Ca 0.01 -0.38 -0.00 0.00 -1.36 0.00 0.00 55.97 54.24 2cr9 s LYS 61 Cb -0.18 -2.91 0.02 0.00 -1.68 0.00 0.00 37.83 33.08 2cr9 s LYS 61 CO 0.03 0.60 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.96 2cr9 s LEU 62 N -0.59 1.28 -0.04 3.17 2.96 -0.61 -1.81 118.68 123.05 2cr9 s LEU 62 Ca 0.10 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2cr9 s LEU 62 Cb -0.12 -0.88 0.03 0.00 0.50 0.00 0.00 46.19 45.73 2cr9 s LEU 62 CO 0.02 -0.10 0.06 -1.10 -1.32 0.00 0.00 176.35 173.92 2cr9 s GLN 63 N 1.59 -0.05 -0.18 1.98 -0.21 -1.19 -1.67 119.66 119.93 2cr9 s GLN 63 Ca 0.03 0.33 -0.12 0.00 0.02 0.00 0.00 55.36 55.62 2cr9 s GLN 63 Cb -0.13 -0.38 -0.05 0.00 1.00 0.00 0.00 33.01 33.45 2cr9 s GLN 63 CO -0.08 -0.26 0.22 -1.17 -2.12 0.00 0.00 175.29 171.88 2cr9 s LEU 64 N 1.75 4.23 0.08 2.90 0.20 -0.86 -2.81 118.68 124.16 2cr9 s LEU 64 Ca -0.01 0.39 0.07 0.00 0.69 0.00 0.00 54.13 55.27 2cr9 s LEU 64 Cb -0.12 -2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 2cr9 s LEU 64 CO -0.03 0.14 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.27 2cr9 s LEU 65 N 0.37 2.86 -0.01 -0.68 2.01 -1.20 0.19 118.68 122.22 2cr9 s LEU 65 Ca 0.13 -0.40 0.03 0.00 0.01 0.00 0.00 54.13 53.89 2cr9 s LEU 65 Cb -0.12 -1.68 -0.01 0.00 0.01 0.00 0.00 46.19 44.39 2cr9 s LEU 65 CO 0.01 0.21 -0.10 -1.83 1.01 0.00 0.00 176.35 175.66 2cr9 s GLU 66 N -1.87 0.84 0.20 1.70 -1.05 0.15 -1.77 118.70 116.89 2cr9 s GLU 66 Ca 0.18 -0.35 -0.32 0.00 -0.15 0.00 0.00 54.97 54.32 2cr9 s GLU 66 Cb -0.11 -0.81 -0.12 0.00 -0.44 0.00 0.00 34.13 32.65 2cr9 s GLU 66 CO 0.10 0.20 1.71 -0.25 0.95 0.00 0.00 175.26 177.97 2cr9 n ASP 67 N 2.89 3.89 -0.32 0.83 8.00 -0.01 -2.84 116.55 128.99 2cr9 n ASP 67 Ca -0.14 1.06 0.22 0.00 0.71 0.00 0.00 54.79 56.64 2cr9 n ASP 67 Cb 0.56 -1.56 0.51 0.00 -0.02 0.00 0.00 41.12 40.61 2cr9 n ASP 67 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2cr9 h ASP 68 N 6.72 0.45 -0.60 -2.24 3.32 -1.90 1.55 116.42 123.73 2cr9 h ASP 68 Ca -0.43 0.08 -0.33 0.00 0.02 0.00 0.00 57.03 56.37 2cr9 h ASP 68 Cb 1.21 0.01 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 2cr9 h ASP 68 CO 0.95 0.09 0.42 0.29 -1.72 0.00 0.00 179.24 179.27 2cr9 n LYS 69 N -4.62 1.79 -3.36 3.56 4.76 -1.26 -4.84 118.16 114.19 2cr9 n LYS 69 Ca 0.25 -1.83 -0.23 0.00 -2.87 0.00 0.00 58.31 53.63 2cr9 n LYS 69 Cb 0.86 -1.72 -0.04 0.00 -1.84 0.00 0.00 35.03 32.29 2cr9 n LYS 69 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2cr9 n GLU 70 N -0.40 -1.46 0.00 1.97 0.28 0.53 -4.80 120.64 116.77 2cr9 n GLU 70 Ca 0.36 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 2cr9 n GLU 70 Cb 1.10 -3.87 0.00 0.00 1.43 0.00 0.00 31.44 30.10 2cr9 n GLU 70 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2cr9 n ASN 71 N -1.68 0.00 -4.38 -1.84 4.13 -1.25 -4.93 115.26 105.31 2cr9 n ASN 71 Ca 0.06 0.11 -0.19 0.00 1.68 0.00 0.00 54.58 56.24 2cr9 n ASN 71 Cb 0.39 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.53 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2cr9 s ARG 72 N -0.23 1.45 0.30 3.52 0.52 -1.26 -4.95 118.95 118.30 2cr9 s ARG 72 Ca 0.00 -1.74 0.11 0.00 -0.52 0.00 0.00 55.73 53.58 2cr9 s ARG 72 Cb 0.00 -0.87 -0.05 0.00 0.52 0.00 0.00 34.95 34.54 2cr9 s ARG 72 CO 0.00 -0.04 -0.15 0.71 0.02 0.00 0.00 175.30 175.83 2cr9 s TYR 73 N -3.23 2.36 0.26 -0.53 1.51 -1.25 -0.83 117.35 115.64 2cr9 s TYR 73 Ca 0.29 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.04 2cr9 s TYR 73 Cb 0.05 -1.11 -0.06 0.00 -0.11 0.00 0.00 41.96 40.73 2cr9 s TYR 73 CO 0.10 0.67 -0.02 -1.58 -1.11 0.00 0.00 175.55 173.61 2cr9 s TRP 74 N -2.52 1.80 -0.28 2.71 0.51 -0.73 0.11 118.94 120.54 2cr9 s TRP 74 Ca 0.31 -0.82 -0.01 0.00 -2.12 0.00 0.00 56.10 53.46 2cr9 s TRP 74 Cb -0.03 -1.05 0.09 0.00 -0.81 0.00 0.00 33.47 31.66 2cr9 s TRP 74 CO 0.16 0.12 0.07 0.42 -0.51 0.00 0.00 176.95 177.21 2cr9 s ILE 75 N -3.20 0.85 -0.14 2.03 -1.09 -0.10 -3.21 121.20 116.33 2cr9 s ILE 75 Ca 0.30 -1.19 -0.19 0.00 -2.23 0.00 0.00 60.65 57.33 2cr9 s ILE 75 Cb 0.05 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.36 2cr9 s ILE 75 CO 0.11 -0.52 0.52 0.12 -1.23 0.00 0.00 174.94 173.94 2cr9 s PHE 76 N 1.65 3.47 -0.17 3.97 5.36 -1.12 -2.76 117.98 128.37 2cr9 s PHE 76 Ca 0.06 0.90 -0.00 0.00 -0.96 0.00 0.00 56.93 56.92 2cr9 s PHE 76 Cb -0.17 -2.63 0.04 0.00 -0.34 0.00 0.00 43.02 39.92 2cr9 s PHE 76 CO -0.20 0.06 -0.05 1.03 -1.46 0.00 0.00 175.22 174.60 2cr9 s ARG 77 N 1.03 1.44 0.01 10.12 0.52 0.18 -3.18 118.95 129.06 2cr9 s ARG 77 Ca 0.27 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2cr9 s ARG 77 Cb -0.15 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 2cr9 s ARG 77 CO 0.11 -0.45 -0.06 -1.54 0.02 0.00 0.00 175.30 173.37 2cr9 s SER 78 N 1.62 4.67 0.34 0.23 1.04 -0.75 0.53 113.70 121.38 2cr9 s SER 78 Ca 0.00 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.11 2cr9 s SER 78 Cb -0.16 -1.10 0.04 0.00 0.10 0.00 0.00 66.02 64.91 2cr9 s SER 78 CO -0.08 0.28 0.77 -1.66 0.98 0.00 0.00 173.24 173.53 2cr9 s TRP 79 N -1.02 -0.01 0.00 5.02 -2.14 -0.91 -1.66 118.94 118.23 2cr9 s TRP 79 Ca 0.18 -0.58 0.00 0.00 2.66 0.00 0.00 56.10 58.35 2cr9 s TRP 79 Cb -0.11 0.79 0.00 0.00 -3.10 0.00 0.00 33.47 31.05 2cr9 s TRP 79 CO 0.08 -1.43 0.00 0.41 -2.66 0.00 0.00 176.95 173.35 2cr9 n GLY 80 N -0.50 1.65 3.67 3.67 0.00 -1.25 -3.17 105.19 109.26 2cr9 n GLY 80 Ca -0.07 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.40 0.60 -0.08 1.61 0.52 -1.26 -1.57 118.95 117.37 2cr9 s ARG 81 Ca 0.00 0.72 -0.07 0.00 -0.52 0.00 0.00 55.73 55.86 2cr9 s ARG 81 Cb 0.00 -1.74 -0.02 0.00 0.52 0.00 0.00 34.95 33.71 2cr9 s ARG 81 CO 0.00 -2.67 -0.14 0.28 0.02 0.00 0.00 175.30 172.79 2cr9 n VAL 82 N -4.16 0.70 -0.77 3.52 0.31 -1.25 -4.56 118.33 112.12 2cr9 n VAL 82 Ca 0.06 0.34 -0.20 0.00 -0.01 0.00 0.00 64.34 64.53 2cr9 n VAL 82 Cb 0.56 -1.91 -0.04 0.00 -0.91 0.00 0.00 33.84 31.54 2cr9 n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cr9 n GLY 83 N 1.54 3.02 3.71 2.92 0.00 -1.26 -4.73 105.19 110.38 2cr9 n GLY 83 Ca -0.06 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 2cr9 n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cr9 s THR 84 N 2.85 0.00 -0.12 2.61 -4.23 -1.26 -5.04 115.64 110.45 2cr9 s THR 84 Ca 0.43 -1.22 0.21 0.00 -1.18 0.00 0.00 61.69 59.94 2cr9 s THR 84 Cb 0.13 -2.21 -0.21 0.00 1.34 0.00 0.00 72.50 71.56 2cr9 s THR 84 CO -0.03 0.00 0.63 1.33 -0.54 0.00 0.00 174.62 176.01 2cr9 n VAL 85 N -0.44 0.51 -1.76 2.29 0.24 -1.26 -4.93 118.33 112.97 2cr9 n VAL 85 Ca -0.03 -0.59 -0.41 0.00 -2.04 0.00 0.00 64.34 61.27 2cr9 n VAL 85 Cb 0.61 -0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 32.72 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2cr9 n ILE 86 N -2.52 1.74 -3.22 1.34 5.41 -1.26 -4.99 119.36 115.85 2cr9 n ILE 86 Ca -0.07 -0.43 -0.01 0.00 1.00 0.00 0.00 62.75 63.23 2cr9 n ILE 86 Cb 0.68 -1.96 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 2cr9 n ILE 86 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2cr9 s GLY 87 N 0.03 -0.84 -0.09 7.39 0.00 -1.26 -4.58 107.32 107.96 2cr9 s GLY 87 Ca 0.56 1.29 -0.02 0.00 0.00 0.00 0.00 44.72 46.56 2cr9 s GLY 87 CO 0.60 3.21 0.00 -0.56 0.00 0.00 0.00 173.10 176.35 2cr9 s SER 88 N 2.74 5.23 0.02 1.64 0.01 -1.19 -5.05 113.70 117.09 2cr9 s SER 88 Ca 0.16 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2cr9 s SER 88 Cb -0.14 -1.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.58 2cr9 s SER 88 CO -0.21 0.37 -0.03 0.54 0.41 0.00 0.00 173.24 174.31 2cr9 s ASN 89 N -0.81 0.27 -0.09 2.44 4.22 -1.26 -2.13 114.94 117.57 2cr9 s ASN 89 Ca 0.12 -0.35 0.03 0.00 -2.14 0.00 0.00 52.86 50.52 2cr9 s ASN 89 Cb -0.11 0.06 0.01 0.00 1.28 0.00 0.00 41.25 42.48 2cr9 s ASN 89 CO 0.02 -0.19 -0.18 -0.75 -2.04 0.00 0.00 177.10 173.96 2cr9 s LYS 90 N -1.02 2.40 -0.04 3.55 2.20 0.19 -4.95 119.74 122.07 2cr9 s LYS 90 Ca -0.10 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 2cr9 s LYS 90 Cb -0.07 -1.88 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 2cr9 s LYS 90 CO -0.01 0.09 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.81 2cr9 s LEU 91 N 0.53 1.67 0.02 5.43 2.96 -1.25 0.50 118.68 128.53 2cr9 s LEU 91 Ca -0.16 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2cr9 s LEU 91 Cb -0.17 -0.67 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 2cr9 s LEU 91 CO 0.06 0.04 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.47 2cr9 s GLU 92 N 0.46 0.36 -0.32 1.98 0.41 -1.11 -4.95 118.70 115.53 2cr9 s GLU 92 Ca -0.09 -0.48 -0.23 0.00 -0.41 0.00 0.00 54.97 53.77 2cr9 s GLU 92 Cb -0.12 -0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.07 2cr9 s GLU 92 CO 0.02 0.03 0.75 -1.14 -0.49 0.00 0.00 175.26 174.42 2cr9 s GLN 93 N -0.99 3.88 0.41 1.61 -0.44 -1.26 -0.93 119.66 121.95 2cr9 s GLN 93 Ca -0.08 0.44 -0.21 0.00 -2.50 0.00 0.00 55.36 53.01 2cr9 s GLN 93 Cb -0.07 -3.75 -0.11 0.00 -1.64 0.00 0.00 33.01 27.44 2cr9 s GLN 93 CO -0.00 -0.70 0.94 -1.64 0.50 0.00 0.00 175.29 174.38 2cr9 s MET 94 N 2.91 4.25 -0.08 1.67 -1.94 0.31 -4.98 119.30 121.45 2cr9 s MET 94 Ca 0.30 1.11 -0.25 0.00 -1.71 0.00 0.00 55.69 55.15 2cr9 s MET 94 Cb -0.14 -2.25 -0.20 0.00 2.01 0.00 0.00 34.83 34.24 2cr9 s MET 94 CO 0.14 0.01 0.92 -1.00 -0.01 0.00 0.00 175.02 175.07 2cr9 h PRO 95 N 2.05 -0.05 -5.79 2.03 0.13 -1.93 -3.31 132.00 125.13 2cr9 h PRO 95 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 2cr9 h PRO 95 Cb 1.18 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2cr9 h PRO 95 CO 0.62 0.59 -0.72 0.45 -0.23 0.00 0.00 178.00 178.71 2cr9 s SER 96 N -5.83 3.10 0.19 1.44 0.15 -1.26 -4.81 113.70 106.67 2cr9 s SER 96 Ca -0.15 -1.10 -0.12 0.00 0.70 0.00 0.00 55.95 55.27 2cr9 s SER 96 Cb -0.01 -0.23 0.16 0.00 -1.71 0.00 0.00 66.02 64.24 2cr9 s SER 96 CO 0.60 -0.17 1.79 0.50 1.20 0.00 0.00 173.24 177.16 2cr9 h LYS 97 N 2.31 0.52 0.61 5.44 3.64 -1.93 -2.21 116.57 124.95 2cr9 h LYS 97 Ca -0.40 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 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 0.64 0.35 -0.32 0.93 -2.27 0.00 0.00 179.45 178.78 2cr9 h GLU 98 N 0.54 -0.82 -1.35 1.90 5.08 -1.98 0.37 114.58 118.32 2cr9 h GLU 98 Ca 0.24 0.06 0.39 0.00 -1.00 0.00 0.00 59.36 59.05 2cr9 h GLU 98 Cb 0.15 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2cr9 h GLU 98 CO -0.16 -0.55 1.06 -0.44 -1.00 0.00 0.00 179.01 177.92 2cr9 h ASP 99 N -0.85 0.00 0.00 1.42 5.19 -1.89 1.27 116.42 121.57 2cr9 h ASP 99 Ca -0.08 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2cr9 h ASP 99 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2cr9 h ASP 99 CO 0.12 0.00 -0.00 0.00 -3.12 0.00 0.00 179.24 176.24 2cr9 h ALA 100 N 1.14 -0.00 0.01 3.45 0.00 -0.64 -2.87 119.26 120.34 2cr9 h ALA 100 Ca 0.64 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2cr9 h ALA 100 Cb 2.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.54 2cr9 h ALA 100 CO -0.01 -0.01 -0.05 0.82 0.00 0.00 0.00 179.25 180.00 2cr9 h ILE 101 N -0.99 0.87 -0.35 0.00 2.04 0.25 0.36 117.51 119.69 2cr9 h ILE 101 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 2cr9 h ILE 101 Cb 0.85 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.71 2cr9 h ILE 101 CO 0.00 0.00 -0.28 -0.33 0.00 0.00 0.00 178.15 177.54 2cr9 h GLU 102 N -0.10 -0.23 -0.53 2.37 5.08 0.11 1.69 114.58 122.98 2cr9 h GLU 102 Ca 0.02 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2cr9 h GLU 102 Cb 0.12 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2cr9 h GLU 102 CO -0.05 -0.15 0.33 1.25 -1.00 0.00 0.00 179.01 179.38 2cr9 h HIS 103 N -0.24 0.69 0.00 4.33 2.76 -1.24 0.60 115.15 122.04 2cr9 h HIS 103 Ca 0.17 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 2cr9 h HIS 103 Cb 0.51 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2cr9 h HIS 103 CO -0.48 0.46 -0.21 0.35 -1.30 0.00 0.00 177.93 176.76 2cr9 h PHE 104 N 0.71 0.00 0.07 5.26 3.04 0.14 0.79 116.94 126.96 2cr9 h PHE 104 Ca 0.19 0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.87 2cr9 h PHE 104 Cb -0.03 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 2cr9 h PHE 104 CO -0.03 0.21 -1.37 0.52 -2.02 0.00 0.00 178.31 175.62 2cr9 h MET 105 N 0.00 0.16 0.05 1.11 2.86 0.35 -3.07 114.93 116.39 2cr9 h MET 105 Ca -0.00 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.29 2cr9 h MET 105 Cb 0.41 0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.18 2cr9 h MET 105 CO 0.03 1.02 -0.35 -0.22 1.06 0.00 0.00 176.91 178.45 2cr9 h LYS 106 N 0.04 0.15 -0.09 1.72 3.64 0.61 -2.90 116.57 119.74 2cr9 h LYS 106 Ca -0.17 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 2cr9 h LYS 106 Cb 1.95 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.78 2cr9 h LYS 106 CO 0.15 1.07 -0.40 -0.07 -2.27 0.00 0.00 179.45 177.93 2cr9 h LEU 107 N -0.65 -1.25 0.00 5.20 3.38 0.45 0.81 115.31 123.25 2cr9 h LEU 107 Ca -0.06 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2cr9 h LEU 107 Cb 1.23 0.51 0.00 0.00 0.09 0.00 0.00 40.66 42.49 2cr9 h LEU 107 CO 0.07 -0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.17 2cr9 n TYR 108 N -5.44 0.00 0.06 1.13 4.19 -1.16 -0.71 117.16 115.24 2cr9 n TYR 108 Ca -0.04 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.28 2cr9 n TYR 108 Cb 0.36 -0.44 -0.11 0.00 0.49 0.00 0.00 39.34 39.64 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 -1.44 0.62 0.06 2.98 2.13 0.23 -3.60 120.64 121.63 2cr9 n GLU 109 Ca 0.02 -0.08 -0.22 0.00 0.66 0.00 0.00 57.16 57.53 2cr9 n GLU 109 Cb 0.07 -1.62 -0.15 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 0.36 0.35 5.31 4.11 0.21 0.62 114.58 125.53 2cr9 h GLU 110 Ca 0.00 -0.61 -0.02 0.00 0.07 0.00 0.00 59.36 58.81 2cr9 h GLU 110 Cb 0.99 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2cr9 h GLU 110 CO 0.00 1.29 -0.17 0.87 0.07 0.00 0.00 179.01 181.07 2cr9 h LYS 111 N -0.11 -0.45 -0.42 1.06 1.79 -1.61 -3.28 116.57 113.54 2cr9 h LYS 111 Ca -0.28 0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.10 2cr9 h LYS 111 Cb 1.91 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.65 2cr9 h LYS 111 CO 0.15 -0.30 -0.22 1.79 -1.08 0.00 0.00 179.45 179.79 2cr9 h THR 112 N -0.57 1.27 0.00 -0.16 1.35 -1.61 -1.16 112.91 112.02 2cr9 h THR 112 Ca -0.05 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 2cr9 h THR 112 Cb 0.36 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2cr9 h THR 112 CO 0.08 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 2cr9 n GLY 113 N -0.18 3.40 3.93 5.82 0.00 0.21 -4.32 105.19 114.04 2cr9 n GLY 113 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.73 6.37 0.73 1.61 0.01 -1.21 -4.81 114.94 116.91 2cr9 s ASN 114 Ca 0.00 0.31 -0.16 0.00 -0.71 0.00 0.00 52.86 52.30 2cr9 s ASN 114 Cb 0.00 -1.97 0.03 0.00 0.41 0.00 0.00 41.25 39.72 2cr9 s ASN 114 CO 0.00 0.01 1.23 0.00 -1.51 0.00 0.00 177.10 176.83 2cr9 n ALA 115 N -0.51 0.50 -0.02 0.60 0.00 -1.26 -4.02 120.51 115.80 2cr9 n ALA 115 Ca -0.05 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 2cr9 n ALA 115 Cb 0.54 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 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 -0.20 -0.80 0.00 0.00 2.91 -1.86 -3.28 115.95 112.73 2cr9 h TRP 116 Ca -0.49 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.57 2cr9 h TRP 116 Cb 1.32 0.38 0.00 0.00 -0.51 0.00 0.00 29.16 30.35 2cr9 h TRP 116 CO 0.43 -0.37 0.00 0.72 -1.03 0.00 0.00 178.44 178.19 2cr9 n HIS 117 N -5.40 0.00 -1.36 2.65 8.25 -1.26 -5.02 115.22 113.08 2cr9 n HIS 117 Ca -0.02 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.60 2cr9 n HIS 117 Cb 0.31 -0.08 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 2cr9 n HIS 117 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2cr9 n SER 118 N -0.75 -7.30 0.03 0.41 2.88 -1.24 -4.90 113.62 102.75 2cr9 n SER 118 Ca 0.00 1.29 -0.00 0.00 -1.33 0.00 0.00 58.87 58.83 2cr9 n SER 118 Cb 0.00 -3.63 -0.00 0.00 -0.75 0.00 0.00 64.21 59.83 2cr9 n SER 118 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cr9 n LYS 119 N -3.72 0.01 -3.87 -1.46 5.02 -1.26 -5.00 118.16 107.88 2cr9 n LYS 119 Ca 0.01 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.01 2cr9 n LYS 119 Cb 0.55 -0.52 -0.16 0.00 -0.02 0.00 0.00 35.03 34.88 2cr9 n LYS 119 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2cr9 s ASN 120 N -5.65 3.82 0.41 4.39 3.84 -1.26 -4.65 114.94 115.83 2cr9 s ASN 120 Ca -0.01 -1.30 -0.27 0.00 0.21 0.00 0.00 52.86 51.49 2cr9 s ASN 120 Cb 0.00 -1.07 -0.10 0.00 -0.55 0.00 0.00 41.25 39.54 2cr9 s ASN 120 CO 0.01 -0.30 1.48 0.12 -2.79 0.00 0.00 177.10 175.63 2cr9 s PHE 121 N 1.46 2.50 -0.23 0.43 5.36 -1.26 -5.00 117.98 121.24 2cr9 s PHE 121 Ca -0.00 1.19 0.02 0.00 -0.96 0.00 0.00 56.93 57.17 2cr9 s PHE 121 Cb -0.18 -4.01 0.06 0.00 -0.34 0.00 0.00 43.02 38.54 2cr9 s PHE 121 CO -0.10 -3.07 -0.09 0.99 -1.46 0.00 0.00 175.22 171.49 2cr9 s THR 122 N -1.15 1.81 -0.28 0.12 2.01 -1.26 -5.08 115.64 111.82 2cr9 s THR 122 Ca 0.56 -1.32 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 2cr9 s THR 122 Cb -0.46 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 2cr9 s THR 122 CO 0.61 0.00 1.75 -0.75 -0.69 0.00 0.00 174.62 175.55 2cr9 s LYS 123 N 1.28 3.51 0.32 4.92 2.36 -1.26 -4.95 119.74 125.92 2cr9 s LYS 123 Ca -0.06 1.57 0.08 0.00 -2.55 0.00 0.00 55.97 55.01 2cr9 s LYS 123 Cb -0.19 -4.15 -0.04 0.00 -1.05 0.00 0.00 37.83 32.41 2cr9 s LYS 123 CO -0.06 -1.64 0.18 0.71 1.55 0.00 0.00 175.35 176.08 2cr9 s TYR 124 N 6.27 2.81 -0.13 4.03 2.02 -1.26 -5.07 117.35 126.03 2cr9 s TYR 124 Ca 0.78 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.88 2cr9 s TYR 124 Cb -0.24 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 2cr9 s TYR 124 CO 0.33 0.35 1.26 -1.25 -1.57 0.00 0.00 175.55 174.66 2cr9 s PRO 125 N -3.87 4.26 0.00 -1.71 0.04 -1.26 -2.58 135.00 129.89 2cr9 s PRO 125 Ca 0.37 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2cr9 s PRO 125 Cb -0.05 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2cr9 s PRO 125 CO 0.24 -0.64 0.00 1.63 0.04 0.00 0.00 177.00 178.27 2cr9 n LYS 126 N 6.22 0.00 -2.17 4.56 5.02 -1.26 -4.99 118.16 125.54 2cr9 n LYS 126 Ca 0.13 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.02 2cr9 n LYS 126 Cb 0.45 -0.55 -0.02 0.00 -0.02 0.00 0.00 35.03 34.89 2cr9 n LYS 126 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2cr9 s LYS 127 N -0.28 4.37 0.31 1.97 -0.14 -1.06 -4.96 119.74 119.94 2cr9 s LYS 127 Ca 0.00 2.15 -0.24 0.00 -1.36 0.00 0.00 55.97 56.52 2cr9 s LYS 127 Cb 0.00 -3.07 -0.10 0.00 -1.68 0.00 0.00 37.83 32.99 2cr9 s LYS 127 CO 0.00 -0.15 0.89 -0.06 -0.76 0.00 0.00 175.35 175.28 2cr9 s PHE 128 N -1.16 3.64 0.18 3.18 0.40 -0.44 -4.68 117.98 119.11 2cr9 s PHE 128 Ca 0.49 1.67 0.03 0.00 -0.60 0.00 0.00 56.93 58.52 2cr9 s PHE 128 Cb -0.38 -2.84 -0.05 0.00 0.51 0.00 0.00 43.02 40.26 2cr9 s PHE 128 CO 0.51 0.21 -0.02 1.52 0.70 0.00 0.00 175.22 178.14 2cr9 s TYR 129 N -1.65 1.29 -0.15 0.36 -0.85 -1.23 -3.54 117.35 111.58 2cr9 s TYR 129 Ca 0.50 -0.95 -0.29 0.00 -0.52 0.00 0.00 57.07 55.81 2cr9 s TYR 129 Cb -0.17 -0.73 -0.02 0.00 0.38 0.00 0.00 41.96 41.42 2cr9 s TYR 129 CO 0.22 -0.12 1.27 -1.25 -1.52 0.00 0.00 175.55 174.15 2cr9 s PRO 130 N -3.87 4.24 -0.00 -3.49 0.04 -1.26 0.11 135.00 130.77 2cr9 s PRO 130 Ca 0.23 1.68 -0.24 0.00 0.04 0.00 0.00 61.00 62.72 2cr9 s PRO 130 Cb 0.05 -3.75 -0.15 0.00 0.04 0.00 0.00 34.50 30.69 2cr9 s PRO 130 CO 0.04 -0.68 1.11 -0.07 0.04 0.00 0.00 177.00 177.44 2cr9 h LEU 131 N 9.56 -0.43 -7.74 -3.56 3.38 -1.35 -3.41 115.31 111.75 2cr9 h LEU 131 Ca -0.28 -0.14 -0.66 0.00 0.09 0.00 0.00 57.88 56.90 2cr9 h LEU 131 Cb 1.11 0.11 -0.39 0.00 0.09 0.00 0.00 40.66 41.59 2cr9 h LEU 131 CO 0.96 -0.04 -0.75 -1.61 0.09 0.00 0.00 178.44 177.09 2cr9 s GLU 132 N -4.38 1.73 0.09 1.13 2.02 -1.26 -4.89 118.70 113.13 2cr9 s GLU 132 Ca -0.13 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.22 2cr9 s GLU 132 Cb 0.02 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.20 2cr9 s GLU 132 CO 0.48 -0.80 0.00 1.51 0.02 0.00 0.00 175.26 176.47 2cr9 n ILE 133 N 4.34 0.47 -2.81 -1.63 3.06 -1.26 -4.81 119.36 116.72 2cr9 n ILE 133 Ca -0.03 0.15 -0.03 0.00 -2.50 0.00 0.00 62.75 60.35 2cr9 n ILE 133 Cb 0.42 -1.22 -0.02 0.00 0.54 0.00 0.00 39.64 39.36 2cr9 n ILE 133 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 2cr9 n SER 134 N -3.20 -4.24 -3.57 9.51 2.88 -1.26 -5.06 113.62 108.69 2cr9 n SER 134 Ca 0.00 1.17 -0.06 0.00 -1.33 0.00 0.00 58.87 58.65 2cr9 n SER 134 Cb 0.16 -3.98 -0.02 0.00 -0.75 0.00 0.00 64.21 59.62 2cr9 n SER 134 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr9 s GLY 135 N -0.72 -0.39 1.10 0.46 0.00 -1.26 -5.18 107.32 101.33 2cr9 s GLY 135 Ca -0.14 1.00 -0.18 0.00 0.00 0.00 0.00 44.72 45.40 2cr9 s GLY 135 CO 0.52 0.32 1.23 2.56 0.00 0.00 0.00 173.10 177.72 2cr9 s PRO 136 N -2.94 -0.41 -0.11 2.90 0.04 -1.26 -5.10 135.00 128.12 2cr9 s PRO 136 Ca 0.08 -0.30 -0.29 0.00 0.04 0.00 0.00 61.00 60.52 2cr9 s PRO 136 Cb -0.01 -1.71 0.07 0.00 0.04 0.00 0.00 34.50 32.89 2cr9 s PRO 136 CO -0.06 -3.13 0.68 0.45 0.04 0.00 0.00 177.00 174.98 2cr9 s SER 137 N -4.45 -0.68 0.00 6.66 0.15 -1.26 -5.01 113.70 109.11 2cr9 s SER 137 Ca 0.73 0.91 0.00 0.00 0.70 0.00 0.00 55.95 58.29 2cr9 s SER 137 Cb -0.06 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2cr9 s SER 137 CO 0.55 -0.51 0.00 -1.20 1.20 0.00 0.00 173.24 173.28 2cr9 n SER 138 N 1.41 0.00 0.00 5.45 7.64 -1.26 -5.18 113.62 121.68 2cr9 n SER 138 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2cr9 n SER 138 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64