#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr9 n SER 2 N 0.00 0.00 -3.64 1.61 7.64 -1.26 -5.19 113.62 112.78 2cr9 n SER 2 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2cr9 n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2cr9 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr9 s SER 3 N 0.00 -0.09 0.00 6.43 1.04 -1.26 -5.19 113.70 114.63 2cr9 s SER 3 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2cr9 s SER 3 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2cr9 s SER 3 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2cr9 n GLY 4 N -0.45 2.62 0.00 7.32 0.00 -1.26 -5.18 105.19 108.24 2cr9 n GLY 4 Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2cr9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr9 n SER 5 N 0.00 0.00 -3.51 1.61 7.64 -1.26 -5.19 113.62 112.91 2cr9 n SER 5 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2cr9 n SER 5 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2cr9 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr9 s SER 6 N 0.00 -0.39 0.07 6.43 0.15 -1.26 -5.19 113.70 113.52 2cr9 s SER 6 Ca 0.00 0.09 -0.15 0.00 0.70 0.00 0.00 55.95 56.59 2cr9 s SER 6 Cb 0.00 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.76 2cr9 s SER 6 CO 0.00 -0.60 0.72 0.61 1.20 0.00 0.00 173.24 175.17 2cr9 n GLY 7 N -0.06 0.68 2.06 9.45 0.00 -1.26 -5.12 105.19 110.94 2cr9 n GLY 7 Ca -0.10 -1.04 -0.00 0.00 0.00 0.00 0.00 46.02 44.88 2cr9 n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cr9 n LYS 8 N -0.51 -4.08 -3.57 1.61 4.01 -1.26 -5.09 118.16 109.27 2cr9 n LYS 8 Ca 0.00 3.07 -0.10 0.00 -0.51 0.00 0.00 58.31 60.76 2cr9 n LYS 8 Cb 0.38 -3.82 -0.05 0.00 -0.51 0.00 0.00 35.03 31.03 2cr9 n LYS 8 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2cr9 s SER 9 N -0.47 -0.36 0.22 4.39 0.01 -1.26 -5.13 113.70 111.10 2cr9 s SER 9 Ca -0.00 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2cr9 s SER 9 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2cr9 s SER 9 CO 0.01 -0.37 0.00 -0.62 0.41 0.00 0.00 173.24 172.66 2cr9 n GLU 10 N 0.59 -4.41 0.07 12.44 1.02 -1.26 -5.05 120.64 124.03 2cr9 n GLU 10 Ca -0.10 3.21 0.00 0.00 -0.02 0.00 0.00 57.16 60.25 2cr9 n GLU 10 Cb 0.58 -3.40 0.00 0.00 -0.02 0.00 0.00 31.44 28.60 2cr9 n GLU 10 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2cr9 n LYS 11 N 1.12 0.00 -1.38 3.49 5.02 -1.26 -5.16 118.16 120.00 2cr9 n LYS 11 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 2cr9 n LYS 11 Cb 0.00 -0.23 -0.09 0.00 -0.02 0.00 0.00 35.03 34.69 2cr9 n LYS 11 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2cr9 n ARG 12 N -3.25 -3.19 -2.71 1.97 0.00 -1.26 -4.94 116.66 103.28 2cr9 n ARG 12 Ca 0.00 2.60 -0.22 0.00 -0.00 0.00 0.00 57.85 60.23 2cr9 n ARG 12 Cb 0.00 -3.72 0.03 0.00 0.00 0.00 0.00 32.46 28.77 2cr9 n ARG 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2cr9 s MET 13 N -4.21 2.72 0.25 -0.14 -1.94 -1.26 -5.03 119.30 109.70 2cr9 s MET 13 Ca 0.00 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 2cr9 s MET 13 Cb 0.00 -2.48 0.00 0.00 2.01 0.00 0.00 34.83 34.36 2cr9 s MET 13 CO 0.00 -0.60 0.00 1.63 -0.01 0.00 0.00 175.02 176.04 2cr9 n LYS 14 N -2.31 0.00 -2.01 2.03 5.02 -1.26 -5.06 118.16 114.57 2cr9 n LYS 14 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 2cr9 n LYS 14 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.57 2cr9 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2cr9 s LEU 15 N -6.44 4.15 0.01 -0.35 1.43 -1.26 -4.95 118.68 111.27 2cr9 s LEU 15 Ca 0.00 2.04 -0.28 0.00 -1.03 0.00 0.00 54.13 54.86 2cr9 s LEU 15 Cb 0.00 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.77 2cr9 s LEU 15 CO 0.00 -1.09 0.70 0.28 0.23 0.00 0.00 176.35 176.47 2cr9 s THR 16 N 4.63 0.00 0.24 5.49 -1.32 -1.26 -5.18 115.64 118.24 2cr9 s THR 16 Ca 0.75 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.19 2cr9 s THR 16 Cb -0.31 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.65 2cr9 s THR 16 CO 0.30 0.00 0.26 -0.22 -2.21 0.00 0.00 174.62 172.75 2cr9 s LEU 17 N -1.80 0.98 -0.06 9.08 2.96 -1.26 -5.16 118.68 123.42 2cr9 s LEU 17 Ca -0.05 -1.31 0.04 0.00 -0.22 0.00 0.00 54.13 52.59 2cr9 s LEU 17 Cb -0.00 0.84 -0.02 0.00 0.50 0.00 0.00 46.19 47.51 2cr9 s LEU 17 CO 0.00 -0.97 -0.17 -0.54 -1.32 0.00 0.00 176.35 173.34 2cr9 s LYS 18 N -3.97 2.55 0.00 1.98 3.01 -1.26 -5.04 119.74 117.01 2cr9 s LYS 18 Ca 0.34 -0.76 0.00 0.00 -1.01 0.00 0.00 55.97 54.55 2cr9 s LYS 18 Cb 0.04 -2.33 0.00 0.00 -1.01 0.00 0.00 37.83 34.53 2cr9 s LYS 18 CO 0.13 0.54 0.00 0.41 0.51 0.00 0.00 175.35 176.94 2cr9 n GLY 19 N 2.55 2.45 0.00 -3.33 0.00 -1.26 -5.10 105.19 100.50 2cr9 n GLY 19 Ca -0.17 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 1.12 0.39 3.42 -0.02 0.00 -1.26 -5.03 105.19 103.81 2cr9 n GLY 20 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 2.33 -0.06 4.61 0.00 -1.26 -5.10 121.76 122.28 2cr9 s ALA 21 Ca 0.00 -1.89 -0.14 0.00 0.00 0.00 0.00 51.96 49.93 2cr9 s ALA 21 Cb 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 2cr9 s ALA 21 CO 0.00 -0.07 0.35 0.00 0.00 0.00 0.00 175.76 176.04 2cr9 s ALA 22 N -3.02 3.69 0.23 0.00 0.00 -1.26 -4.34 121.76 117.07 2cr9 s ALA 22 Ca 0.29 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 2cr9 s ALA 22 Cb 0.04 -2.34 -0.07 0.00 0.00 0.00 0.00 23.12 20.74 2cr9 s ALA 22 CO 0.12 0.39 0.56 0.08 0.00 0.00 0.00 175.76 176.91 2cr9 s VAL 23 N -0.64 4.92 0.33 0.00 1.01 -1.26 -4.86 120.40 119.89 2cr9 s VAL 23 Ca 0.21 0.51 -0.27 0.00 0.00 0.00 0.00 61.98 62.43 2cr9 s VAL 23 Cb -0.15 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2cr9 s VAL 23 CO 0.10 -0.07 1.00 -1.81 0.00 0.00 0.00 175.10 174.32 2cr9 s ASP 24 N -2.34 7.19 0.45 3.32 1.11 -1.26 -4.76 116.67 120.38 2cr9 s ASP 24 Ca 0.47 1.99 0.25 0.00 0.18 0.00 0.00 52.55 55.45 2cr9 s ASP 24 Cb -0.11 -2.59 0.74 0.00 1.07 0.00 0.00 42.92 42.03 2cr9 s ASP 24 CO 0.21 -0.18 1.75 1.55 1.18 0.00 0.00 175.17 179.68 2cr9 h PRO 25 N 3.22 0.00 0.00 8.23 0.13 -1.97 -2.77 132.00 138.85 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 0.14 -0.09 -0.44 -0.23 0.00 0.00 178.00 178.02 2cr9 h ASP 26 N 0.00 0.00 0.79 1.44 5.19 -2.02 -2.28 116.42 119.54 2cr9 h ASP 26 Ca -0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 2cr9 h ASP 26 Cb 0.85 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 2cr9 h ASP 26 CO 0.02 0.09 -0.84 0.28 -3.12 0.00 0.00 179.24 175.67 2cr9 h SER 27 N 0.00 0.04 0.00 6.45 0.02 -1.89 -3.47 113.55 114.70 2cr9 h SER 27 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2cr9 h SER 27 Cb 0.57 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2cr9 h SER 27 CO 0.01 0.86 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 2cr9 n GLY 28 N 0.86 2.96 1.28 -3.77 0.00 -0.86 -4.80 105.19 100.87 2cr9 n GLY 28 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 3.71 0.22 0.99 7.99 -1.26 -4.16 117.00 124.49 2cr9 n LEU 29 Ca 0.00 -1.88 0.06 0.00 -0.01 0.00 0.00 56.01 54.18 2cr9 n LEU 29 Cb 0.00 -0.54 0.50 0.00 -0.11 0.00 0.00 43.42 43.27 2cr9 n LEU 29 CO 0.00 0.55 0.87 1.05 -1.51 0.00 0.00 177.39 178.35 2cr9 h GLU 30 N 2.74 0.00 -0.05 3.23 4.11 -1.76 0.53 114.58 123.39 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 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2cr9 h GLU 30 CO 0.23 0.22 0.00 -2.39 0.07 0.00 0.00 179.01 177.14 2cr9 n HIS 31 N -4.18 0.07 0.05 2.06 1.44 -1.26 -4.75 115.22 108.65 2cr9 n HIS 31 Ca -0.02 -0.57 0.00 0.00 -2.01 0.00 0.00 57.72 55.12 2cr9 n HIS 31 Cb 0.28 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.33 2cr9 n HIS 31 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2cr9 n SER 32 N -0.51 1.02 -4.95 4.39 2.88 -0.93 -5.10 113.62 110.43 2cr9 n SER 32 Ca 0.04 0.13 -0.22 0.00 -1.33 0.00 0.00 58.87 57.49 2cr9 n SER 32 Cb 0.33 -0.31 0.01 0.00 -0.75 0.00 0.00 64.21 63.50 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr9 s ALA 33 N -2.00 4.45 0.07 -1.46 0.00 0.18 -4.27 121.76 118.73 2cr9 s ALA 33 Ca 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 51.96 50.26 2cr9 s ALA 33 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2cr9 s ALA 33 CO 0.00 -0.52 -0.03 -3.38 0.00 0.00 0.00 175.76 171.83 2cr9 s HIS 34 N -2.65 0.66 0.19 0.00 -3.43 -0.79 -4.38 115.29 104.91 2cr9 s HIS 34 Ca 0.47 -1.04 -0.33 0.00 -0.80 0.00 0.00 55.06 53.36 2cr9 s HIS 34 Cb -0.04 -0.44 -0.14 0.00 -1.43 0.00 0.00 32.58 30.53 2cr9 s HIS 34 CO 0.29 -0.33 1.34 0.28 -2.00 0.00 0.00 174.74 174.32 2cr9 n VAL 35 N 0.04 0.74 -2.34 -5.38 0.31 -1.26 0.28 118.33 110.71 2cr9 n VAL 35 Ca -0.13 -0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 2cr9 n VAL 35 Cb 0.61 -1.22 -0.03 0.00 -0.91 0.00 0.00 33.84 32.30 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 0.41 4.26 0.03 7.52 1.98 0.52 -4.69 118.68 128.71 2cr9 s LEU 36 Ca 0.72 1.89 0.04 0.00 -2.89 0.00 0.00 54.13 53.89 2cr9 s LEU 36 Cb -0.75 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 42.52 2cr9 s LEU 36 CO 0.49 -0.71 -0.04 -1.61 -1.89 0.00 0.00 176.35 172.59 2cr9 s GLU 37 N 2.85 2.56 -0.04 1.98 2.02 -1.26 -0.93 118.70 125.89 2cr9 s GLU 37 Ca 0.59 -0.75 -0.27 0.00 0.02 0.00 0.00 54.97 54.56 2cr9 s GLU 37 Cb -0.26 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.50 2cr9 s GLU 37 CO 0.21 0.59 0.60 0.21 0.02 0.00 0.00 175.26 176.88 2cr9 s LYS 38 N -1.71 0.97 -1.40 1.61 2.20 -0.54 -4.93 119.74 115.94 2cr9 s LYS 38 Ca 0.20 0.16 -0.09 0.00 -0.36 0.00 0.00 55.97 55.87 2cr9 s LYS 38 Cb -0.11 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.67 2cr9 s LYS 38 CO 0.11 -0.30 0.18 0.41 -0.36 0.00 0.00 175.35 175.39 2cr9 n GLY 39 N 1.00 -0.30 3.90 5.54 0.00 -1.26 0.19 105.19 114.26 2cr9 n GLY 39 Ca -0.20 0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 3.32 -0.02 0.00 -1.26 -4.94 105.19 99.42 2cr9 n GLY 40 Ca -0.26 0.14 -0.17 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 -6.59 1.40 -0.03 1.61 -0.14 0.50 -5.16 119.74 111.32 2cr9 s LYS 41 Ca 0.63 -1.75 0.07 0.00 -1.36 0.00 0.00 55.97 53.57 2cr9 s LYS 41 Cb -0.34 -0.36 -0.02 0.00 -1.68 0.00 0.00 37.83 35.44 2cr9 s LYS 41 CO 0.78 -0.25 -0.25 0.08 -0.76 0.00 0.00 175.35 174.95 2cr9 s VAL 42 N -3.66 2.01 -0.27 3.17 1.01 -1.26 -1.46 120.40 119.93 2cr9 s VAL 42 Ca 0.35 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2cr9 s VAL 42 Cb 0.08 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2cr9 s VAL 42 CO 0.12 0.57 2.91 0.49 0.00 0.00 0.00 175.10 179.19 2cr9 n PHE 43 N 2.60 1.01 -3.74 5.22 3.01 -0.11 -4.72 117.46 120.73 2cr9 n PHE 43 Ca -0.16 -1.76 -0.30 0.00 1.01 0.00 0.00 57.45 56.24 2cr9 n PHE 43 Cb 0.51 -1.35 -0.15 0.00 -0.01 0.00 0.00 39.48 38.49 2cr9 n PHE 43 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2cr9 s SER 44 N 0.93 3.99 0.00 4.37 0.01 -1.26 -1.84 113.70 119.90 2cr9 s SER 44 Ca 0.55 -1.88 0.08 0.00 1.31 0.00 0.00 55.95 56.01 2cr9 s SER 44 Cb 0.33 -0.94 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 2cr9 s SER 44 CO -0.12 -0.38 -0.25 0.00 0.41 0.00 0.00 173.24 172.90 2cr9 s ALA 45 N 1.31 2.23 -0.39 1.44 0.00 -0.96 -5.03 121.76 120.36 2cr9 s ALA 45 Ca 0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 2cr9 s ALA 45 Cb -0.19 -0.55 0.10 0.00 0.00 0.00 0.00 23.12 22.47 2cr9 s ALA 45 CO -0.18 0.53 0.18 0.99 0.00 0.00 0.00 175.76 177.28 2cr9 s THR 46 N -0.69 3.37 0.25 0.00 2.01 -1.26 -1.37 115.64 117.95 2cr9 s THR 46 Ca 0.11 -1.85 -0.14 0.00 0.31 0.00 0.00 61.69 60.12 2cr9 s THR 46 Cb -0.10 -3.21 -0.08 0.00 0.01 0.00 0.00 72.50 69.12 2cr9 s THR 46 CO 0.00 -0.57 0.65 -0.76 -0.69 0.00 0.00 174.62 173.26 2cr9 s LEU 47 N 1.20 4.18 -0.02 4.42 1.02 0.34 -1.00 118.68 128.82 2cr9 s LEU 47 Ca 0.05 1.16 0.00 0.00 0.02 0.00 0.00 54.13 55.37 2cr9 s LEU 47 Cb -0.22 -3.76 0.02 0.00 0.02 0.00 0.00 46.19 42.24 2cr9 s LEU 47 CO -0.03 -0.08 0.01 -0.83 0.02 0.00 0.00 176.35 175.44 2cr9 s GLY 48 N -2.12 0.13 -0.02 -3.19 0.00 0.31 0.03 107.32 102.47 2cr9 s GLY 48 Ca 0.48 0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.39 2cr9 s GLY 48 CO 0.19 0.48 -0.04 -2.27 0.00 0.00 0.00 173.10 171.46 2cr9 s LEU 49 N 0.78 1.72 -0.09 0.66 1.98 0.00 -2.68 118.68 121.06 2cr9 s LEU 49 Ca -0.07 -0.09 -0.08 0.00 -2.89 0.00 0.00 54.13 51.00 2cr9 s LEU 49 Cb -0.10 -0.30 0.03 0.00 0.66 0.00 0.00 46.19 46.47 2cr9 s LEU 49 CO -0.02 0.01 0.24 0.54 -1.89 0.00 0.00 176.35 175.23 2cr9 s VAL 50 N 0.29 -0.01 0.07 1.68 0.11 -1.26 0.31 120.40 121.59 2cr9 s VAL 50 Ca -0.03 0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 2cr9 s VAL 50 Cb -0.07 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.38 2cr9 s VAL 50 CO -0.00 0.01 0.50 -0.62 -3.33 0.00 0.00 175.10 171.66 2cr9 s ASP 51 N 0.34 6.89 -0.13 3.54 -1.08 0.37 -4.95 116.67 121.66 2cr9 s ASP 51 Ca -0.02 1.08 0.08 0.00 -0.52 0.00 0.00 52.55 53.18 2cr9 s ASP 51 Cb -0.03 -2.29 -0.23 0.00 -1.46 0.00 0.00 42.92 38.90 2cr9 s ASP 51 CO -0.01 0.24 0.30 0.00 0.52 0.00 0.00 175.17 176.22 2cr9 n ILE 52 N 1.45 1.57 -0.04 4.11 0.13 -1.26 -3.00 119.36 122.31 2cr9 n ILE 52 Ca -0.10 -0.75 -0.01 0.00 -1.10 0.00 0.00 62.75 60.80 2cr9 n ILE 52 Cb 0.52 -1.10 -0.00 0.00 -0.84 0.00 0.00 39.64 38.21 2cr9 n ILE 52 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 2cr9 h VAL 53 N 0.02 0.00 0.00 9.51 2.07 -1.97 -3.31 116.25 122.57 2cr9 h VAL 53 Ca -0.43 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2cr9 h VAL 53 Cb 2.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2cr9 h VAL 53 CO 0.04 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.92 2cr9 n LYS 54 N -4.20 0.14 -3.08 1.57 4.76 -1.26 -4.82 118.16 111.27 2cr9 n LYS 54 Ca -0.01 0.55 -0.22 0.00 -2.87 0.00 0.00 58.31 55.76 2cr9 n LYS 54 Cb 0.05 -1.89 0.02 0.00 -1.84 0.00 0.00 35.03 31.36 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 -0.88 -0.51 3.31 0.72 0.00 -1.16 -4.95 105.19 101.71 2cr9 n GLY 55 Ca -0.00 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.06 3.25 0.25 2.61 -4.23 -1.17 -4.90 115.64 108.39 2cr9 s THR 56 Ca 0.31 -0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 60.21 2cr9 s THR 56 Cb -0.15 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 2cr9 s THR 56 CO 0.38 0.45 0.54 0.20 -0.54 0.00 0.00 174.62 175.65 2cr9 s ASN 57 N 1.31 6.53 0.14 3.99 -0.87 -1.26 0.14 114.94 124.92 2cr9 s ASN 57 Ca 0.04 0.81 -0.14 0.00 -1.57 0.00 0.00 52.86 52.00 2cr9 s ASN 57 Cb -0.14 -2.18 0.02 0.00 -0.02 0.00 0.00 41.25 38.93 2cr9 s ASN 57 CO -0.03 -0.13 0.36 -0.44 -2.57 0.00 0.00 177.10 174.30 2cr9 s SER 58 N -2.75 -0.13 -0.17 -1.22 0.01 0.90 -2.62 113.70 107.72 2cr9 s SER 58 Ca 0.45 -0.49 -0.09 0.00 1.31 0.00 0.00 55.95 57.13 2cr9 s SER 58 Cb -0.11 0.46 0.06 0.00 0.21 0.00 0.00 66.02 66.64 2cr9 s SER 58 CO 0.26 -0.87 0.41 -0.72 0.41 0.00 0.00 173.24 172.72 2cr9 s TYR 59 N -3.85 -0.60 -0.16 2.43 -0.85 -0.87 -0.82 117.35 112.63 2cr9 s TYR 59 Ca 0.07 1.28 0.01 0.00 -0.52 0.00 0.00 57.07 57.91 2cr9 s TYR 59 Cb 0.02 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.64 2cr9 s TYR 59 CO -0.08 -0.34 -0.19 -0.47 -1.52 0.00 0.00 175.55 172.94 2cr9 s TYR 60 N 1.41 2.74 -0.11 -3.49 6.14 0.10 -3.54 117.35 120.61 2cr9 s TYR 60 Ca -0.10 -1.41 -0.01 0.00 0.64 0.00 0.00 57.07 56.20 2cr9 s TYR 60 Cb -0.08 -1.88 -0.03 0.00 0.42 0.00 0.00 41.96 40.38 2cr9 s TYR 60 CO -0.13 -0.67 -0.06 0.15 0.64 0.00 0.00 175.55 175.49 2cr9 s LYS 61 N 1.04 3.16 -0.01 4.97 -0.14 -0.72 0.13 119.74 128.17 2cr9 s LYS 61 Ca -0.01 -0.53 0.07 0.00 -1.36 0.00 0.00 55.97 54.13 2cr9 s LYS 61 Cb -0.14 -2.73 -0.02 0.00 -1.68 0.00 0.00 37.83 33.26 2cr9 s LYS 61 CO -0.06 0.48 -0.21 -1.17 -0.76 0.00 0.00 175.35 173.63 2cr9 s LEU 62 N -0.30 2.06 -0.25 3.17 2.96 -0.47 -1.10 118.68 124.75 2cr9 s LEU 62 Ca 0.05 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 2cr9 s LEU 62 Cb -0.13 -1.06 0.09 0.00 0.50 0.00 0.00 46.19 45.59 2cr9 s LEU 62 CO 0.02 0.24 0.57 -1.10 -1.32 0.00 0.00 176.35 174.77 2cr9 s GLN 63 N -0.60 0.53 -0.50 1.98 -0.21 -1.01 -2.27 119.66 117.58 2cr9 s GLN 63 Ca 0.08 1.18 -0.13 0.00 0.02 0.00 0.00 55.36 56.51 2cr9 s GLN 63 Cb -0.08 0.38 0.12 0.00 1.00 0.00 0.00 33.01 34.43 2cr9 s GLN 63 CO -0.00 -0.19 0.42 -1.17 -2.12 0.00 0.00 175.29 172.22 2cr9 s LEU 64 N 2.19 5.90 0.41 2.90 0.20 -0.77 -2.27 118.68 127.25 2cr9 s LEU 64 Ca -0.07 -1.81 -0.22 0.00 0.69 0.00 0.00 54.13 52.72 2cr9 s LEU 64 Cb -0.09 -2.11 -0.10 0.00 -0.43 0.00 0.00 46.19 43.45 2cr9 s LEU 64 CO -0.17 -0.76 0.97 -0.76 -0.29 0.00 0.00 176.35 175.34 2cr9 s LEU 65 N 1.49 4.05 -0.04 -0.68 1.43 -0.96 0.19 118.68 124.16 2cr9 s LEU 65 Ca 0.04 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 2cr9 s LEU 65 Cb -0.28 -4.37 0.02 0.00 0.03 0.00 0.00 46.19 41.59 2cr9 s LEU 65 CO 0.02 -0.35 -0.06 -0.70 0.23 0.00 0.00 176.35 175.49 2cr9 s GLU 66 N -2.83 0.87 0.43 1.70 2.12 0.14 -2.43 118.70 118.70 2cr9 s GLU 66 Ca 0.59 -0.16 -0.26 0.00 0.36 0.00 0.00 54.97 55.50 2cr9 s GLU 66 Cb -0.14 -0.84 -0.09 0.00 0.26 0.00 0.00 34.13 33.32 2cr9 s GLU 66 CO 0.18 -0.02 1.46 -3.47 -0.54 0.00 0.00 175.26 172.87 2cr9 n ASP 67 N 3.80 3.51 -2.02 -1.70 -0.08 0.51 -1.88 116.55 118.69 2cr9 n ASP 67 Ca -0.23 1.15 -0.24 0.00 -1.51 0.00 0.00 54.79 53.96 2cr9 n ASP 67 Cb 0.52 -1.61 0.13 0.00 2.34 0.00 0.00 41.12 42.49 2cr9 n ASP 67 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2cr9 n ASP 68 N -0.01 5.10 0.16 1.67 5.68 -1.26 -4.55 116.55 123.34 2cr9 n ASP 68 Ca 0.04 -3.74 0.00 0.00 -0.50 0.00 0.00 54.79 50.59 2cr9 n ASP 68 Cb 0.41 -0.78 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 2cr9 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2cr9 n LYS 69 N -1.00 0.00 -0.63 0.11 5.02 -1.26 -5.11 118.16 115.28 2cr9 n LYS 69 Ca 0.53 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2cr9 n LYS 69 Cb 1.08 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.09 2cr9 n LYS 69 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2cr9 n GLU 70 N -3.32 3.22 -3.13 1.97 -0.58 -1.26 -5.05 120.64 112.49 2cr9 n GLU 70 Ca 0.00 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.29 2cr9 n GLU 70 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2cr9 n GLU 70 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2cr9 s ASN 71 N 0.19 7.18 -0.03 1.62 0.01 -1.26 -4.48 114.94 118.17 2cr9 s ASN 71 Ca 0.00 -3.26 0.00 0.00 -0.71 0.00 0.00 52.86 48.90 2cr9 s ASN 71 Cb 0.00 -2.31 0.02 0.00 0.41 0.00 0.00 41.25 39.38 2cr9 s ASN 71 CO 0.00 -0.54 -0.00 -0.13 -1.51 0.00 0.00 177.10 174.92 2cr9 s ARG 72 N 0.26 0.30 0.19 -0.60 0.52 -1.26 -4.87 118.95 113.49 2cr9 s ARG 72 Ca 0.37 0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.65 2cr9 s ARG 72 Cb -0.06 -0.46 -0.05 0.00 0.52 0.00 0.00 34.95 34.90 2cr9 s ARG 72 CO -0.04 -0.12 0.02 0.71 0.02 0.00 0.00 175.30 175.89 2cr9 s TYR 73 N 0.93 1.28 0.01 -0.53 1.51 -1.26 0.19 117.35 119.48 2cr9 s TYR 73 Ca -0.09 -1.05 -0.01 0.00 -1.01 0.00 0.00 57.07 54.91 2cr9 s TYR 73 Cb -0.13 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 2cr9 s TYR 73 CO -0.02 -0.24 0.01 -1.58 -1.11 0.00 0.00 175.55 172.62 2cr9 s TRP 74 N -3.68 0.12 -0.49 2.71 0.51 -1.02 -0.54 118.94 116.55 2cr9 s TRP 74 Ca 0.27 -0.24 -0.06 0.00 -2.12 0.00 0.00 56.10 53.95 2cr9 s TRP 74 Cb 0.06 -0.09 0.13 0.00 -0.81 0.00 0.00 33.47 32.76 2cr9 s TRP 74 CO 0.06 -0.12 0.34 0.42 -0.51 0.00 0.00 176.95 177.14 2cr9 s ILE 75 N -0.81 3.90 -0.26 2.03 -1.09 -0.11 -2.27 121.20 122.59 2cr9 s ILE 75 Ca -0.09 -2.11 -0.19 0.00 -2.23 0.00 0.00 60.65 56.03 2cr9 s ILE 75 Cb -0.06 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 2cr9 s ILE 75 CO -0.00 -0.78 0.58 0.12 -1.23 0.00 0.00 174.94 173.63 2cr9 s PHE 76 N 0.99 3.28 -0.18 3.97 5.36 -0.96 -3.28 117.98 127.16 2cr9 s PHE 76 Ca 0.09 0.74 -0.00 0.00 -0.96 0.00 0.00 56.93 56.80 2cr9 s PHE 76 Cb -0.23 -2.79 0.04 0.00 -0.34 0.00 0.00 43.02 39.70 2cr9 s PHE 76 CO -0.03 -0.31 -0.06 1.03 -1.46 0.00 0.00 175.22 174.40 2cr9 s ARG 77 N 2.42 1.57 0.02 10.12 0.52 -0.83 -2.41 118.95 130.35 2cr9 s ARG 77 Ca 0.24 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2cr9 s ARG 77 Cb -0.16 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 2cr9 s ARG 77 CO 0.09 -0.46 0.08 -1.54 0.02 0.00 0.00 175.30 173.49 2cr9 s SER 78 N 1.56 5.63 0.25 0.23 1.04 -0.26 -0.84 113.70 121.31 2cr9 s SER 78 Ca -0.01 0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.37 2cr9 s SER 78 Cb -0.16 -1.59 0.01 0.00 0.10 0.00 0.00 66.02 64.38 2cr9 s SER 78 CO -0.08 0.25 0.56 -1.66 0.98 0.00 0.00 173.24 173.29 2cr9 s TRP 79 N -1.24 0.10 0.00 5.02 -2.14 -0.48 -1.76 118.94 118.44 2cr9 s TRP 79 Ca 0.24 -0.49 0.00 0.00 2.66 0.00 0.00 56.10 58.51 2cr9 s TRP 79 Cb -0.12 0.39 0.00 0.00 -3.10 0.00 0.00 33.47 30.64 2cr9 s TRP 79 CO 0.16 -1.05 0.00 0.41 -2.66 0.00 0.00 176.95 173.80 2cr9 n GLY 80 N -0.40 4.18 3.73 3.67 0.00 -1.23 -1.85 105.19 113.29 2cr9 n GLY 80 Ca -0.04 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.18 1.97 -0.01 1.61 0.52 -1.26 -2.06 118.95 116.55 2cr9 s ARG 81 Ca 0.00 1.52 -0.05 0.00 -0.52 0.00 0.00 55.73 56.68 2cr9 s ARG 81 Cb 0.00 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 2cr9 s ARG 81 CO 0.00 -1.92 0.57 0.28 0.02 0.00 0.00 175.30 174.26 2cr9 h VAL 82 N -0.84 0.00 -3.28 3.52 2.07 -1.80 -3.41 116.25 112.51 2cr9 h VAL 82 Ca -0.45 -0.13 -0.64 0.00 0.82 0.00 0.00 66.70 66.30 2cr9 h VAL 82 Cb 1.27 0.00 -0.40 0.00 -1.52 0.00 0.00 31.29 30.63 2cr9 h VAL 82 CO 0.48 0.00 -0.54 -0.83 0.02 0.00 0.00 177.57 176.71 2cr9 s GLY 83 N -1.82 2.70 0.00 2.17 0.00 -1.26 -4.82 107.32 104.28 2cr9 s GLY 83 Ca -0.03 -3.55 0.00 0.00 0.00 0.00 0.00 44.72 41.15 2cr9 s GLY 83 CO 0.08 1.06 0.00 2.41 0.00 0.00 0.00 173.10 176.65 2cr9 n THR 84 N 2.63 0.00 0.00 0.90 -1.04 -1.26 -5.01 114.28 110.50 2cr9 n THR 84 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2cr9 n THR 84 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2cr9 n THR 84 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2cr9 n VAL 85 N -1.63 0.00 -1.20 12.58 0.31 -1.26 -5.13 118.33 122.00 2cr9 n VAL 85 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 2cr9 n VAL 85 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2cr9 n ILE 86 N 0.00 0.01 0.00 2.52 5.41 -1.26 -4.93 119.36 121.11 2cr9 n ILE 86 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2cr9 n ILE 86 Cb 0.00 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 2cr9 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cr9 n GLY 87 N 2.71 -0.09 3.32 7.39 0.00 -1.26 -3.99 105.19 113.27 2cr9 n GLY 87 Ca 0.06 0.67 -0.12 0.00 0.00 0.00 0.00 46.02 46.62 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 0.32 0.33 1.61 0.01 -0.77 -5.02 113.70 110.17 2cr9 s SER 88 Ca 0.00 -1.34 0.07 0.00 1.31 0.00 0.00 55.95 56.00 2cr9 s SER 88 Cb 0.00 0.47 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 2cr9 s SER 88 CO 0.00 -0.96 0.27 0.54 0.41 0.00 0.00 173.24 173.50 2cr9 s ASN 89 N -3.16 1.69 -0.06 2.44 4.22 -1.26 -1.38 114.94 117.43 2cr9 s ASN 89 Ca 0.35 -1.75 -0.02 0.00 -2.14 0.00 0.00 52.86 49.29 2cr9 s ASN 89 Cb 0.04 0.55 0.04 0.00 1.28 0.00 0.00 41.25 43.16 2cr9 s ASN 89 CO 0.14 -1.06 0.11 -0.75 -2.04 0.00 0.00 177.10 173.50 2cr9 s LYS 90 N -3.46 0.02 -0.24 3.55 2.47 -0.02 -4.93 119.74 117.13 2cr9 s LYS 90 Ca 0.40 0.37 0.00 0.00 -1.56 0.00 0.00 55.97 55.19 2cr9 s LYS 90 Cb 0.02 -0.26 0.04 0.00 -1.46 0.00 0.00 37.83 36.17 2cr9 s LYS 90 CO 0.27 -0.22 -0.10 -1.17 0.16 0.00 0.00 175.35 174.29 2cr9 s LEU 91 N 1.54 3.08 -0.13 5.43 2.96 -1.26 -1.96 118.68 128.34 2cr9 s LEU 91 Ca -0.04 -1.01 -0.01 0.00 -0.22 0.00 0.00 54.13 52.85 2cr9 s LEU 91 Cb -0.12 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 45.01 2cr9 s LEU 91 CO -0.05 -0.13 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.21 2cr9 s GLU 92 N 1.24 1.11 -0.06 1.98 0.41 -1.20 -4.95 118.70 117.23 2cr9 s GLU 92 Ca -0.02 -0.24 -0.30 0.00 -0.41 0.00 0.00 54.97 54.00 2cr9 s GLU 92 Cb -0.17 -1.60 -0.04 0.00 -1.78 0.00 0.00 34.13 30.55 2cr9 s GLU 92 CO -0.06 -0.38 1.35 -1.14 -0.49 0.00 0.00 175.26 174.54 2cr9 s GLN 93 N 1.79 4.27 0.36 1.61 -0.44 -1.26 -0.93 119.66 125.06 2cr9 s GLN 93 Ca 0.03 1.84 -0.17 0.00 -2.50 0.00 0.00 55.36 54.57 2cr9 s GLN 93 Cb -0.14 -3.67 -0.09 0.00 -1.64 0.00 0.00 33.01 27.46 2cr9 s GLN 93 CO -0.07 -0.61 0.80 -1.64 0.50 0.00 0.00 175.29 174.27 2cr9 s MET 94 N 2.86 4.06 -0.07 1.67 -1.94 0.30 -4.96 119.30 121.21 2cr9 s MET 94 Ca 0.61 0.80 -0.15 0.00 -1.71 0.00 0.00 55.69 55.24 2cr9 s MET 94 Cb -0.27 -2.35 -0.11 0.00 2.01 0.00 0.00 34.83 34.11 2cr9 s MET 94 CO 0.23 0.09 0.58 -1.00 -0.01 0.00 0.00 175.02 174.91 2cr9 h PRO 95 N 2.11 -0.23 -6.43 2.03 0.13 -1.91 -3.35 132.00 124.35 2cr9 h PRO 95 Ca -0.48 0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 2cr9 h PRO 95 Cb 1.18 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 2cr9 h PRO 95 CO 0.64 0.07 -0.74 -1.12 -0.23 0.00 0.00 178.00 176.62 2cr9 s SER 96 N -5.40 4.02 0.20 1.44 0.01 -1.26 -4.84 113.70 107.87 2cr9 s SER 96 Ca -0.09 -0.70 -0.12 0.00 1.31 0.00 0.00 55.95 56.35 2cr9 s SER 96 Cb 0.00 -0.58 0.23 0.00 0.21 0.00 0.00 66.02 65.88 2cr9 s SER 96 CO 0.31 0.09 1.70 0.50 0.41 0.00 0.00 173.24 176.25 2cr9 h LYS 97 N 2.78 0.20 0.39 12.44 3.64 -1.90 -0.93 116.57 133.20 2cr9 h LYS 97 Ca -0.46 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2cr9 h LYS 97 Cb 1.22 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2cr9 h LYS 97 CO 0.54 0.14 -0.24 0.93 -2.27 0.00 0.00 179.45 178.55 2cr9 h GLU 98 N 0.21 -0.58 -0.38 1.90 5.08 -1.98 0.70 114.58 119.53 2cr9 h GLU 98 Ca 0.28 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.79 2cr9 h GLU 98 Cb 0.40 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2cr9 h GLU 98 CO -0.38 -0.39 0.60 -0.44 -1.00 0.00 0.00 179.01 177.40 2cr9 h ASP 99 N -0.60 0.00 0.12 1.42 5.19 -1.75 0.77 116.42 121.57 2cr9 h ASP 99 Ca -0.04 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.14 2cr9 h ASP 99 Cb 0.49 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.01 2cr9 h ASP 99 CO 0.05 0.00 -1.07 0.00 -3.12 0.00 0.00 179.24 175.09 2cr9 h ALA 100 N 1.15 0.04 0.16 3.45 0.00 0.23 -3.18 119.26 121.11 2cr9 h ALA 100 Ca 0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2cr9 h ALA 100 Cb 1.38 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2cr9 h ALA 100 CO -0.00 0.58 -0.08 0.82 0.00 0.00 0.00 179.25 180.57 2cr9 h ILE 101 N -0.39 0.85 -0.73 0.00 2.04 0.25 -0.84 117.51 118.71 2cr9 h ILE 101 Ca -0.22 -0.05 0.16 0.00 1.00 0.00 0.00 64.86 65.75 2cr9 h ILE 101 Cb 1.66 0.89 -0.12 0.00 -0.74 0.00 0.00 36.82 38.51 2cr9 h ILE 101 CO 0.09 0.01 0.06 -0.33 0.00 0.00 0.00 178.15 177.99 2cr9 h GLU 102 N -0.24 0.15 0.72 2.37 5.08 -0.56 1.58 114.58 123.67 2cr9 h GLU 102 Ca -0.02 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2cr9 h GLU 102 Cb 0.19 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.41 2cr9 h GLU 102 CO 0.04 0.10 -0.35 1.25 -1.00 0.00 0.00 179.01 179.05 2cr9 h HIS 103 N 0.16 -0.90 0.00 4.33 2.76 -1.44 1.48 115.15 121.54 2cr9 h HIS 103 Ca 0.40 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2cr9 h HIS 103 Cb 0.70 0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.95 2cr9 h HIS 103 CO -0.36 -0.56 -0.01 0.35 -1.30 0.00 0.00 177.93 176.05 2cr9 h PHE 104 N -0.97 0.00 0.19 5.26 3.57 0.20 1.43 116.94 126.62 2cr9 h PHE 104 Ca -0.10 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.08 2cr9 h PHE 104 Cb 0.74 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.50 2cr9 h PHE 104 CO -0.02 0.01 -1.57 0.52 -2.23 0.00 0.00 178.31 175.02 2cr9 h MET 105 N 0.00 0.41 0.02 1.11 2.86 0.29 -3.13 114.93 116.48 2cr9 h MET 105 Ca -0.00 -0.69 -0.06 0.00 -2.06 0.00 0.00 59.70 56.89 2cr9 h MET 105 Cb 0.04 0.26 0.01 0.00 0.06 0.00 0.00 31.60 31.96 2cr9 h MET 105 CO 0.00 1.33 -0.25 -0.22 1.06 0.00 0.00 176.91 178.83 2cr9 h LYS 106 N 0.02 0.14 -0.19 1.72 3.64 0.28 -2.99 116.57 119.18 2cr9 h LYS 106 Ca -0.30 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 2cr9 h LYS 106 Cb 2.03 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 33.84 2cr9 h LYS 106 CO 0.18 0.96 -0.52 -0.07 -2.27 0.00 0.00 179.45 177.73 2cr9 h LEU 107 N -0.60 -1.69 -0.60 5.20 -0.00 0.18 1.24 115.31 119.05 2cr9 h LEU 107 Ca -0.04 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 2cr9 h LEU 107 Cb 1.06 0.67 0.00 0.00 -0.00 0.00 0.00 40.66 42.39 2cr9 h LEU 107 CO 0.05 -0.44 0.02 0.00 -0.00 0.00 0.00 178.44 178.06 2cr9 n TYR 108 N -5.28 0.30 0.01 1.13 9.36 -1.18 0.17 117.16 121.66 2cr9 n TYR 108 Ca -0.05 0.16 0.09 0.00 3.32 0.00 0.00 57.90 61.41 2cr9 n TYR 108 Cb 0.35 -0.74 -0.13 0.00 -0.63 0.00 0.00 39.34 38.20 2cr9 n TYR 108 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2cr9 n GLU 109 N -1.81 0.65 0.09 2.98 2.13 0.34 -3.30 120.64 121.72 2cr9 n GLU 109 Ca -0.01 -0.09 -0.08 0.00 0.66 0.00 0.00 57.16 57.65 2cr9 n GLU 109 Cb 0.03 -1.61 -0.03 0.00 0.27 0.00 0.00 31.44 30.10 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 0.12 0.00 5.31 4.11 0.52 0.33 114.58 124.98 2cr9 h GLU 110 Ca -0.05 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2cr9 h GLU 110 Cb 1.14 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2cr9 h GLU 110 CO 0.01 0.96 -0.03 0.87 0.07 0.00 0.00 179.01 180.89 2cr9 h LYS 111 N 0.06 0.00 0.00 1.06 1.79 -1.61 -3.35 116.57 114.52 2cr9 h LYS 111 Ca -0.04 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 2cr9 h LYS 111 Cb 1.58 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.23 2cr9 h LYS 111 CO 0.13 0.00 -0.23 1.79 -1.08 0.00 0.00 179.45 180.06 2cr9 h THR 112 N -0.67 1.16 0.00 -0.16 1.35 -1.64 -1.29 112.91 111.66 2cr9 h THR 112 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2cr9 h THR 112 Cb 0.03 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2cr9 h THR 112 CO 0.00 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 2cr9 n GLY 113 N -0.86 2.01 3.63 5.82 0.00 0.12 -4.41 105.19 111.49 2cr9 n GLY 113 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.71 4.63 0.71 1.61 0.01 -1.17 -4.88 114.94 113.14 2cr9 s ASN 114 Ca 0.00 -0.38 -0.16 0.00 -0.71 0.00 0.00 52.86 51.61 2cr9 s ASN 114 Cb 0.00 -0.95 0.02 0.00 0.41 0.00 0.00 41.25 40.73 2cr9 s ASN 114 CO 0.00 0.13 1.16 0.00 -1.51 0.00 0.00 177.10 176.88 2cr9 n ALA 115 N 0.25 0.38 0.08 0.60 0.00 -1.26 -3.98 120.51 116.57 2cr9 n ALA 115 Ca -0.11 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 2cr9 n ALA 115 Cb 0.54 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.67 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 -0.11 -0.14 -2.12 0.00 2.91 -1.87 -3.19 115.95 111.43 2cr9 h TRP 116 Ca -0.48 -0.00 -0.79 0.00 1.13 0.00 0.00 58.89 58.75 2cr9 h TRP 116 Cb 1.33 0.05 -0.22 0.00 -0.51 0.00 0.00 29.16 29.80 2cr9 h TRP 116 CO 0.42 0.06 1.42 0.72 -1.03 0.00 0.00 178.44 180.03 2cr9 n HIS 117 N -5.08 2.56 -3.74 2.65 8.25 -1.26 -4.88 115.22 113.72 2cr9 n HIS 117 Ca -0.08 -2.66 -0.29 0.00 -0.26 0.00 0.00 57.72 54.42 2cr9 n HIS 117 Cb 0.15 -1.53 -0.15 0.00 1.12 0.00 0.00 29.99 29.58 2cr9 n HIS 117 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2cr9 s SER 118 N -0.65 3.72 1.04 0.41 0.15 -1.21 -5.13 113.70 112.04 2cr9 s SER 118 Ca 0.38 -1.38 -0.20 0.00 0.70 0.00 0.00 55.95 55.45 2cr9 s SER 118 Cb 0.10 -0.81 0.02 0.00 -1.71 0.00 0.00 66.02 63.63 2cr9 s SER 118 CO 0.02 -0.37 -0.43 0.29 1.20 0.00 0.00 173.24 173.94 2cr9 n LYS 119 N 4.90 -1.18 -3.17 5.44 5.02 -1.26 -4.16 118.16 123.74 2cr9 n LYS 119 Ca -0.05 -0.34 -0.00 0.00 -2.02 0.00 0.00 58.31 55.90 2cr9 n LYS 119 Cb 0.43 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.14 -6.61 -4.66 4.39 3.02 -1.26 -4.80 115.26 105.49 2cr9 n ASN 120 Ca 0.01 0.43 -0.43 0.00 -0.03 0.00 0.00 54.58 54.56 2cr9 n ASN 120 Cb 0.60 -1.69 -0.02 0.00 -0.61 0.00 0.00 39.78 38.05 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 -1.02 3.16 -0.61 3.10 5.36 -1.26 -4.98 117.98 121.73 2cr9 s PHE 121 Ca 0.00 1.29 -0.24 0.00 -0.96 0.00 0.00 56.93 57.02 2cr9 s PHE 121 Cb -0.00 -3.41 0.05 0.00 -0.34 0.00 0.00 43.02 39.32 2cr9 s PHE 121 CO 0.03 -0.88 1.00 0.99 -1.46 0.00 0.00 175.22 174.89 2cr9 s THR 122 N 3.39 4.27 -0.17 0.12 2.01 -1.26 -4.98 115.64 119.01 2cr9 s THR 122 Ca 0.47 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 2cr9 s THR 122 Cb -0.16 -4.64 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 2cr9 s THR 122 CO 0.10 -1.33 1.74 -0.75 -0.69 0.00 0.00 174.62 173.68 2cr9 s LYS 123 N 4.25 3.81 0.44 4.92 2.36 -1.26 -4.95 119.74 129.31 2cr9 s LYS 123 Ca 0.29 1.89 0.07 0.00 -2.55 0.00 0.00 55.97 55.67 2cr9 s LYS 123 Cb -0.13 -4.08 -0.02 0.00 -1.05 0.00 0.00 37.83 32.54 2cr9 s LYS 123 CO 0.16 -1.29 0.31 0.71 1.55 0.00 0.00 175.35 176.79 2cr9 s TYR 124 N 5.33 2.46 0.00 4.03 2.02 -1.26 -5.11 117.35 124.82 2cr9 s TYR 124 Ca 0.77 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 2cr9 s TYR 124 Cb -0.29 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 2cr9 s TYR 124 CO 0.31 -0.08 0.00 -0.35 -1.57 0.00 0.00 175.55 173.86 2cr9 n PRO 125 N -1.48 0.00 -0.52 -1.71 -0.04 -1.26 -4.24 135.00 125.75 2cr9 n PRO 125 Ca 0.01 0.00 0.41 0.00 -0.04 0.00 0.00 63.50 63.87 2cr9 n PRO 125 Cb 0.63 0.00 0.65 0.00 -0.04 0.00 0.00 33.50 34.74 2cr9 n PRO 125 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2cr9 n LYS 126 N 0.00 -0.01 -0.70 0.54 5.02 -1.26 -4.35 118.16 117.39 2cr9 n LYS 126 Ca 0.00 0.99 -0.32 0.00 -2.02 0.00 0.00 58.31 56.96 2cr9 n LYS 126 Cb 0.00 -2.12 0.16 0.00 -0.02 0.00 0.00 35.03 33.05 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 -3.98 -0.63 -3.99 1.97 4.76 -1.26 -4.95 118.16 110.08 2cr9 n LYS 127 Ca 0.36 -0.13 -0.28 0.00 -2.87 0.00 0.00 58.31 55.40 2cr9 n LYS 127 Cb 1.56 -2.13 -0.04 0.00 -1.84 0.00 0.00 35.03 32.57 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 -2.51 3.37 0.16 2.13 0.40 -0.49 -4.80 117.98 116.24 2cr9 s PHE 128 Ca 0.63 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 57.08 2cr9 s PHE 128 Cb -0.22 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 2cr9 s PHE 128 CO 0.63 0.53 0.01 1.52 0.70 0.00 0.00 175.22 178.61 2cr9 s TYR 129 N -1.65 1.11 -0.23 0.36 -0.85 -1.09 -3.76 117.35 111.24 2cr9 s TYR 129 Ca 0.33 -1.06 -0.29 0.00 -0.52 0.00 0.00 57.07 55.53 2cr9 s TYR 129 Cb -0.11 -0.64 -0.01 0.00 0.38 0.00 0.00 41.96 41.58 2cr9 s TYR 129 CO 0.26 -0.27 1.31 -1.25 -1.52 0.00 0.00 175.55 174.09 2cr9 s PRO 130 N -3.94 4.04 0.17 -3.49 0.04 -1.26 0.11 135.00 130.68 2cr9 s PRO 130 Ca 0.23 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 2cr9 s PRO 130 Cb 0.06 -3.84 0.06 0.00 0.04 0.00 0.00 34.50 30.82 2cr9 s PRO 130 CO 0.03 -0.96 1.77 -0.07 0.04 0.00 0.00 177.00 177.81 2cr9 h LEU 131 N 10.45 0.68 -8.31 -3.56 3.38 -1.38 -3.37 115.31 113.20 2cr9 h LEU 131 Ca -0.27 -0.10 -0.72 0.00 0.09 0.00 0.00 57.88 56.87 2cr9 h LEU 131 Cb 1.10 -0.17 -0.24 0.00 0.09 0.00 0.00 40.66 41.44 2cr9 h LEU 131 CO 1.00 0.59 -0.42 -0.70 0.09 0.00 0.00 178.44 179.00 2cr9 s GLU 132 N -5.82 2.86 -0.16 1.13 2.12 -1.26 -5.06 118.70 112.51 2cr9 s GLU 132 Ca -0.13 -1.26 -0.09 0.00 0.36 0.00 0.00 54.97 53.84 2cr9 s GLU 132 Cb 0.12 -3.94 -0.05 0.00 0.26 0.00 0.00 34.13 30.52 2cr9 s GLU 132 CO 0.76 -0.89 0.15 0.42 -0.54 0.00 0.00 175.26 175.16 2cr9 s ILE 133 N 1.58 5.43 -0.30 -3.70 1.01 -1.26 -4.96 121.20 119.00 2cr9 s ILE 133 Ca 0.03 0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.83 2cr9 s ILE 133 Cb -0.22 -3.46 0.16 0.00 0.01 0.00 0.00 42.46 38.95 2cr9 s ILE 133 CO 0.06 0.51 0.80 -0.55 0.00 0.00 0.00 174.94 175.76 2cr9 s SER 134 N -0.23 -0.94 0.00 3.58 0.15 -1.26 -5.15 113.70 109.85 2cr9 s SER 134 Ca 0.12 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2cr9 s SER 134 Cb -0.12 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.13 2cr9 s SER 134 CO 0.01 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2cr9 n GLY 135 N 5.31 3.64 1.60 9.45 0.00 -1.26 -5.12 105.19 118.80 2cr9 n GLY 135 Ca -0.07 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 2cr9 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr9 n PRO 136 N -1.21 -1.24 0.06 1.61 -0.04 -1.26 -5.06 135.00 127.86 2cr9 n PRO 136 Ca 0.00 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 2cr9 n PRO 136 Cb 0.00 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2cr9 n PRO 136 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr9 n SER 137 N -3.59 0.14 -4.66 3.54 2.88 -1.26 -5.05 113.62 105.63 2cr9 n SER 137 Ca 0.07 0.20 -0.53 0.00 -1.33 0.00 0.00 58.87 57.27 2cr9 n SER 137 Cb 0.25 0.08 -0.06 0.00 -0.75 0.00 0.00 64.21 63.73 2cr9 n SER 137 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cr9 n SER 138 N -3.02 2.72 0.00 -3.46 7.64 -1.26 -4.88 113.62 111.37 2cr9 n SER 138 Ca 0.00 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.80 2cr9 n SER 138 Cb 0.00 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64