#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 -3.00 -4.25 1.61 2.88 -1.26 -5.15 113.62 104.45 2cr9 n SER 2 Ca 0.00 0.73 -0.14 0.00 -1.33 0.00 0.00 58.87 58.13 2cr9 n SER 2 Cb 0.00 2.87 -0.10 0.00 -0.75 0.00 0.00 64.21 66.23 2cr9 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cr9 s SER 3 N -2.64 1.41 0.47 -3.46 0.01 -1.26 -5.17 113.70 103.05 2cr9 s SER 3 Ca 0.00 -1.15 0.05 0.00 1.31 0.00 0.00 55.95 56.16 2cr9 s SER 3 Cb 0.00 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 2cr9 s SER 3 CO 0.00 -0.52 0.08 -0.83 0.41 0.00 0.00 173.24 172.38 2cr9 s GLY 4 N -3.19 2.67 -0.09 3.44 0.00 -1.26 -5.15 107.32 103.75 2cr9 s GLY 4 Ca 0.23 -1.38 -0.03 0.00 0.00 0.00 0.00 44.72 43.54 2cr9 s GLY 4 CO 0.04 -2.09 0.17 -0.56 0.00 0.00 0.00 173.10 170.66 2cr9 s SER 5 N -3.87 0.44 -1.14 1.64 0.01 -1.26 -5.07 113.70 104.46 2cr9 s SER 5 Ca 0.24 0.37 -0.22 0.00 1.31 0.00 0.00 55.95 57.64 2cr9 s SER 5 Cb 0.04 0.31 -0.05 0.00 0.21 0.00 0.00 66.02 66.53 2cr9 s SER 5 CO 0.13 -0.22 1.89 -0.44 0.41 0.00 0.00 173.24 175.01 2cr9 s SER 6 N 1.99 5.36 -0.30 2.44 0.01 -1.26 -4.62 113.70 117.32 2cr9 s SER 6 Ca -0.01 -1.56 -0.13 0.00 1.31 0.00 0.00 55.95 55.56 2cr9 s SER 6 Cb -0.12 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 63.72 2cr9 s SER 6 CO -0.06 -2.69 1.13 -0.83 0.41 0.00 0.00 173.24 171.20 2cr9 s GLY 7 N 6.43 -1.32 0.14 3.44 0.00 -1.26 -5.07 107.32 109.68 2cr9 s GLY 7 Ca 0.66 1.80 0.00 0.00 0.00 0.00 0.00 44.72 47.17 2cr9 s GLY 7 CO 0.09 4.34 0.00 0.28 0.00 0.00 0.00 173.10 177.81 2cr9 n LYS 8 N 4.12 0.00 -1.14 2.90 5.02 -1.26 -5.08 118.16 122.72 2cr9 n LYS 8 Ca 0.07 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.41 2cr9 n LYS 8 Cb 0.62 -0.12 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 2cr9 n LYS 8 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2cr9 n SER 9 N -3.14 -6.13 -3.55 4.39 7.64 -1.26 -4.68 113.62 106.88 2cr9 n SER 9 Ca 0.00 1.28 -0.15 0.00 1.01 0.00 0.00 58.87 61.02 2cr9 n SER 9 Cb 0.00 -3.61 -0.06 0.00 -1.01 0.00 0.00 64.21 59.53 2cr9 n SER 9 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2cr9 s GLU 10 N -4.63 0.84 0.06 1.43 -1.05 -1.26 -4.25 118.70 109.83 2cr9 s GLU 10 Ca 0.00 0.29 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 2cr9 s GLU 10 Cb 0.00 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2cr9 s GLU 10 CO 0.00 -0.25 0.00 1.63 0.95 0.00 0.00 175.26 177.59 2cr9 n LYS 11 N 1.04 0.00 -3.71 -4.83 4.01 -1.26 -5.13 118.16 108.29 2cr9 n LYS 11 Ca -0.15 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.54 2cr9 n LYS 11 Cb 0.57 -0.01 -0.11 0.00 -0.51 0.00 0.00 35.03 34.97 2cr9 n LYS 11 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2cr9 s ARG 12 N -1.20 0.40 -0.11 1.97 3.00 -1.26 -5.04 118.95 116.71 2cr9 s ARG 12 Ca 0.00 0.72 -0.07 0.00 0.00 0.00 0.00 55.73 56.38 2cr9 s ARG 12 Cb 0.00 0.03 0.03 0.00 0.00 0.00 0.00 34.95 35.01 2cr9 s ARG 12 CO 0.00 -0.14 0.15 -1.33 0.00 0.00 0.00 175.30 173.98 2cr9 n MET 13 N 3.94 -3.30 -3.70 3.54 2.81 -1.26 -5.04 117.12 114.11 2cr9 n MET 13 Ca -0.21 2.57 -0.11 0.00 -1.81 0.00 0.00 57.70 58.15 2cr9 n MET 13 Cb 0.56 -3.36 -0.11 0.00 -0.71 0.00 0.00 33.22 29.60 2cr9 n MET 13 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2cr9 s LYS 14 N -0.40 0.36 0.66 0.03 1.02 -1.26 -5.06 119.74 115.09 2cr9 s LYS 14 Ca -0.17 0.76 -0.04 0.00 0.02 0.00 0.00 55.97 56.54 2cr9 s LYS 14 Cb 0.01 -0.03 0.05 0.00 -0.52 0.00 0.00 37.83 37.34 2cr9 s LYS 14 CO 0.45 -0.16 0.94 -0.51 -0.92 0.00 0.00 175.35 175.15 2cr9 s LEU 15 N 1.44 2.96 -0.10 3.17 2.01 -1.22 -4.53 118.68 122.42 2cr9 s LEU 15 Ca -0.09 0.35 0.06 0.00 0.01 0.00 0.00 54.13 54.46 2cr9 s LEU 15 Cb -0.09 -3.07 -0.10 0.00 0.01 0.00 0.00 46.19 42.94 2cr9 s LEU 15 CO -0.12 -1.44 -0.01 1.07 1.01 0.00 0.00 176.35 176.86 2cr9 n THR 16 N -2.75 0.62 -4.19 5.49 5.66 -1.26 -1.92 114.28 115.94 2cr9 n THR 16 Ca 0.08 -0.34 -0.37 0.00 -3.05 0.00 0.00 64.05 60.37 2cr9 n THR 16 Cb 0.60 -0.80 -0.04 0.00 -1.55 0.00 0.00 70.33 68.53 2cr9 n THR 16 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2cr9 n LEU 17 N -2.47 -0.78 -4.87 1.09 4.32 -1.26 -4.77 117.00 108.25 2cr9 n LEU 17 Ca -0.16 -1.27 -0.34 0.00 -0.02 0.00 0.00 56.01 54.22 2cr9 n LEU 17 Cb 0.77 -1.66 -0.05 0.00 -1.62 0.00 0.00 43.42 40.86 2cr9 n LEU 17 CO 0.17 0.61 0.10 -0.54 -1.22 0.00 0.00 177.39 176.51 2cr9 s LYS 18 N -7.34 3.75 -1.16 3.23 -0.14 -1.26 -4.97 119.74 111.85 2cr9 s LYS 18 Ca 0.21 0.16 -0.23 0.00 -1.36 0.00 0.00 55.97 54.75 2cr9 s LYS 18 Cb -0.11 -2.90 -0.10 0.00 -1.68 0.00 0.00 37.83 33.03 2cr9 s LYS 18 CO 0.98 0.50 1.94 0.41 -0.76 0.00 0.00 175.35 178.42 2cr9 n GLY 19 N 0.55 1.01 1.25 -3.33 0.00 -1.26 -4.79 105.19 98.62 2cr9 n GLY 19 Ca -0.05 -0.67 0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 5.74 -1.91 3.37 -0.02 0.00 -1.26 -4.96 105.19 106.14 2cr9 n GLY 20 Ca 0.45 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.20 2.09 -0.14 4.61 0.00 -1.26 -5.05 121.76 119.80 2cr9 s ALA 21 Ca 0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.08 2cr9 s ALA 21 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2cr9 s ALA 21 CO 0.00 0.02 0.37 0.00 0.00 0.00 0.00 175.76 176.15 2cr9 s ALA 22 N -3.00 3.54 0.55 0.00 0.00 -1.26 -4.10 121.76 117.49 2cr9 s ALA 22 Ca 0.24 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 51.68 2cr9 s ALA 22 Cb 0.01 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 2cr9 s ALA 22 CO 0.08 0.04 1.11 0.08 0.00 0.00 0.00 175.76 177.07 2cr9 s VAL 23 N 0.57 3.31 0.38 0.00 1.01 -1.26 -4.91 120.40 119.50 2cr9 s VAL 23 Ca 0.21 0.78 -0.24 0.00 0.00 0.00 0.00 61.98 62.72 2cr9 s VAL 23 Cb -0.14 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 2cr9 s VAL 23 CO 0.07 -0.21 0.98 -0.62 0.00 0.00 0.00 175.10 175.32 2cr9 s ASP 24 N -1.96 7.02 0.43 3.32 2.15 -1.26 -4.73 116.67 121.64 2cr9 s ASP 24 Ca 0.71 1.87 0.28 0.00 0.43 0.00 0.00 52.55 55.83 2cr9 s ASP 24 Cb -0.22 -2.57 0.87 0.00 -0.30 0.00 0.00 42.92 40.70 2cr9 s ASP 24 CO 0.28 -0.30 1.79 1.55 -0.17 0.00 0.00 175.17 178.32 2cr9 h PRO 25 N 2.60 0.00 0.00 4.34 0.13 -1.96 -2.71 132.00 134.40 2cr9 h PRO 25 Ca -0.48 0.00 -0.01 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 0.63 0.00 -0.04 0.22 -0.23 0.00 0.00 178.00 178.58 2cr9 h ASP 26 N 0.00 0.00 1.01 1.44 1.82 -2.03 -2.53 116.42 116.13 2cr9 h ASP 26 Ca 0.00 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.43 2cr9 h ASP 26 Cb 0.70 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.68 2cr9 h ASP 26 CO 0.00 0.04 -1.00 0.77 -1.61 0.00 0.00 179.24 177.44 2cr9 h SER 27 N 0.00 0.00 0.00 2.28 4.64 -1.88 -3.47 113.55 115.12 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 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2cr9 h SER 27 CO 0.00 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 2cr9 n GLY 28 N 1.35 2.65 0.77 -0.77 0.00 -0.95 -4.80 105.19 103.45 2cr9 n GLY 28 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 2.24 0.25 0.99 7.99 -1.26 -4.08 117.00 123.14 2cr9 n LEU 29 Ca 0.00 -1.12 0.10 0.00 -0.01 0.00 0.00 56.01 54.98 2cr9 n LEU 29 Cb 0.00 -0.28 0.69 0.00 -0.11 0.00 0.00 43.42 43.72 2cr9 n LEU 29 CO 0.00 0.55 1.09 1.05 -1.51 0.00 0.00 177.39 178.57 2cr9 h GLU 30 N 2.42 0.00 -0.02 3.23 4.11 -1.75 1.03 114.58 123.59 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 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2cr9 h GLU 30 CO 0.01 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 176.70 2cr9 n HIS 31 N -4.41 0.04 0.03 2.06 1.44 -1.26 -4.74 115.22 108.38 2cr9 n HIS 31 Ca -0.02 -0.59 -0.00 0.00 -2.01 0.00 0.00 57.72 55.10 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 0.45 -2.81 0.00 0.00 176.34 173.98 2cr9 n SER 32 N -0.61 0.66 -4.86 4.39 2.88 -0.51 -5.10 113.62 110.47 2cr9 n SER 32 Ca 0.04 0.08 -0.29 0.00 -1.33 0.00 0.00 58.87 57.37 2cr9 n SER 32 Cb 0.33 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 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 4.37 0.08 -1.46 0.00 0.34 -4.53 121.76 118.56 2cr9 s ALA 33 Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2cr9 s ALA 33 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2cr9 s ALA 33 CO 0.00 -0.31 -0.05 -3.38 0.00 0.00 0.00 175.76 172.02 2cr9 s HIS 34 N -2.82 0.72 -0.15 0.00 -3.43 -0.99 -4.33 115.29 104.29 2cr9 s HIS 34 Ca 0.24 -0.99 -0.34 0.00 -0.80 0.00 0.00 55.06 53.17 2cr9 s HIS 34 Cb -0.01 -0.46 -0.11 0.00 -1.43 0.00 0.00 32.58 30.57 2cr9 s HIS 34 CO 0.15 -0.26 1.97 0.28 -2.00 0.00 0.00 174.74 174.88 2cr9 n VAL 35 N 0.03 0.49 -1.66 -5.38 0.31 -1.26 0.63 118.33 111.50 2cr9 n VAL 35 Ca -0.13 -0.17 -0.46 0.00 -0.01 0.00 0.00 64.34 63.57 2cr9 n VAL 35 Cb 0.61 -1.92 -0.04 0.00 -0.91 0.00 0.00 33.84 31.58 2cr9 n VAL 35 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2cr9 n LEU 36 N 7.78 3.64 -4.65 7.52 -0.00 0.47 -4.74 117.00 127.01 2cr9 n LEU 36 Ca 0.26 0.85 -0.29 0.00 -0.00 0.00 0.00 56.01 56.84 2cr9 n LEU 36 Cb 0.30 -1.44 -0.08 0.00 -0.00 0.00 0.00 43.42 42.20 2cr9 n LEU 36 CO 0.73 -0.04 -0.35 -1.61 -0.00 0.00 0.00 177.39 176.11 2cr9 s GLU 37 N 4.54 2.40 -0.02 1.96 2.02 -1.26 -2.33 118.70 126.01 2cr9 s GLU 37 Ca 0.93 -0.96 -0.27 0.00 0.02 0.00 0.00 54.97 54.69 2cr9 s GLU 37 Cb -0.57 -2.43 0.06 0.00 0.10 0.00 0.00 34.13 31.28 2cr9 s GLU 37 CO 0.47 0.51 0.60 0.21 0.02 0.00 0.00 175.26 177.07 2cr9 s LYS 38 N -2.46 1.02 -1.71 1.61 2.20 -1.01 -4.93 119.74 114.47 2cr9 s LYS 38 Ca 0.25 0.09 -0.14 0.00 -0.36 0.00 0.00 55.97 55.81 2cr9 s LYS 38 Cb -0.11 0.47 0.14 0.00 -1.51 0.00 0.00 37.83 36.82 2cr9 s LYS 38 CO 0.17 -0.33 0.50 0.41 -0.36 0.00 0.00 175.35 175.74 2cr9 n GLY 39 N 0.82 -0.33 2.81 5.54 0.00 -1.26 0.21 105.19 112.98 2cr9 n GLY 39 Ca -0.19 0.12 -0.20 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 -1.60 -0.51 3.67 -0.02 0.00 -1.26 -4.96 105.19 100.51 2cr9 n GLY 40 Ca -0.04 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.47 2.12 -0.02 1.61 -0.14 0.56 -4.88 119.74 113.53 2cr9 s LYS 41 Ca 0.19 -2.35 0.03 0.00 -1.36 0.00 0.00 55.97 52.48 2cr9 s LYS 41 Cb -0.09 -1.12 -0.00 0.00 -1.68 0.00 0.00 37.83 34.94 2cr9 s LYS 41 CO 0.23 -0.45 -0.09 0.08 -0.76 0.00 0.00 175.35 174.36 2cr9 s VAL 42 N -3.02 0.74 -0.24 3.17 1.01 -1.26 -2.40 120.40 118.40 2cr9 s VAL 42 Ca 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2cr9 s VAL 42 Cb 0.01 -0.64 0.11 0.00 0.00 0.00 0.00 36.38 35.86 2cr9 s VAL 42 CO 0.07 0.22 2.23 0.49 0.00 0.00 0.00 175.10 178.11 2cr9 n PHE 43 N 3.06 1.09 -4.00 5.22 3.01 -0.98 -4.73 117.46 120.13 2cr9 n PHE 43 Ca -0.16 -1.72 -0.31 0.00 1.01 0.00 0.00 57.45 56.28 2cr9 n PHE 43 Cb 0.56 -0.96 -0.15 0.00 -0.01 0.00 0.00 39.48 38.92 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 0.74 4.70 -0.08 4.37 0.15 -1.26 -2.48 113.70 119.84 2cr9 s SER 44 Ca 0.30 -2.31 0.04 0.00 0.70 0.00 0.00 55.95 54.67 2cr9 s SER 44 Cb 0.21 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 2cr9 s SER 44 CO -0.03 -0.36 -0.19 0.00 1.20 0.00 0.00 173.24 173.86 2cr9 s ALA 45 N 0.69 1.75 -0.46 5.45 0.00 -0.84 -5.04 121.76 123.31 2cr9 s ALA 45 Ca 0.12 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 2cr9 s ALA 45 Cb -0.20 -0.67 0.11 0.00 0.00 0.00 0.00 23.12 22.36 2cr9 s ALA 45 CO -0.06 0.23 0.33 0.99 0.00 0.00 0.00 175.76 177.25 2cr9 s THR 46 N 0.38 4.29 0.41 0.00 2.01 -1.26 -1.73 115.64 119.73 2cr9 s THR 46 Ca -0.14 -1.65 -0.08 0.00 0.31 0.00 0.00 61.69 60.13 2cr9 s THR 46 Cb -0.16 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2cr9 s THR 46 CO 0.06 -0.70 0.73 -0.76 -0.69 0.00 0.00 174.62 173.26 2cr9 s LEU 47 N 1.40 3.81 -0.13 4.42 1.43 -0.04 -1.23 118.68 128.34 2cr9 s LEU 47 Ca 0.05 0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 54.08 2cr9 s LEU 47 Cb -0.25 -3.88 0.06 0.00 0.03 0.00 0.00 46.19 42.14 2cr9 s LEU 47 CO 0.00 -0.42 0.28 -0.83 0.23 0.00 0.00 176.35 175.62 2cr9 s GLY 48 N -3.46 -0.15 -0.00 -3.19 0.00 0.86 -1.69 107.32 99.69 2cr9 s GLY 48 Ca 0.49 1.04 0.06 0.00 0.00 0.00 0.00 44.72 46.30 2cr9 s GLY 48 CO 0.35 1.79 -0.18 -2.27 0.00 0.00 0.00 173.10 172.79 2cr9 s LEU 49 N 2.05 2.06 0.00 0.66 1.98 0.34 -3.50 118.68 122.27 2cr9 s LEU 49 Ca -0.03 -0.36 0.02 0.00 -2.89 0.00 0.00 54.13 50.88 2cr9 s LEU 49 Cb -0.11 -0.93 -0.01 0.00 0.66 0.00 0.00 46.19 45.80 2cr9 s LEU 49 CO -0.09 0.21 -0.07 -0.69 -1.89 0.00 0.00 176.35 173.81 2cr9 s VAL 50 N -0.49 0.57 0.11 1.68 1.01 -1.26 0.19 120.40 122.21 2cr9 s VAL 50 Ca 0.07 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 2cr9 s VAL 50 Cb -0.07 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.74 2cr9 s VAL 50 CO -0.00 0.10 0.69 -0.62 0.00 0.00 0.00 175.10 175.27 2cr9 s ASP 51 N -0.33 7.23 -0.07 3.32 -1.08 0.10 -4.90 116.67 120.95 2cr9 s ASP 51 Ca 0.02 1.46 0.02 0.00 -0.52 0.00 0.00 52.55 53.52 2cr9 s ASP 51 Cb -0.04 -2.44 -0.25 0.00 -1.46 0.00 0.00 42.92 38.74 2cr9 s ASP 51 CO -0.00 0.20 0.57 -0.29 0.52 0.00 0.00 175.17 176.17 2cr9 h ILE 52 N 3.55 0.80 0.00 4.11 2.10 -1.94 -2.56 117.51 123.58 2cr9 h ILE 52 Ca -0.47 -2.57 -0.01 0.00 1.08 0.00 0.00 64.86 62.89 2cr9 h ILE 52 Cb 1.21 2.51 -0.00 0.00 -1.09 0.00 0.00 36.82 39.45 2cr9 h ILE 52 CO 0.66 0.72 -0.21 0.58 -1.08 0.00 0.00 178.15 178.82 2cr9 h VAL 53 N 0.04 0.09 0.00 2.19 2.07 -1.97 -3.32 116.25 115.35 2cr9 h VAL 53 Ca -0.34 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2cr9 h VAL 53 Cb 2.02 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2cr9 h VAL 53 CO 0.10 0.03 0.00 0.11 0.02 0.00 0.00 177.57 177.83 2cr9 h LYS 54 N -1.00 0.00 -3.86 1.57 1.79 -1.99 -3.45 116.57 109.62 2cr9 h LYS 54 Ca -0.01 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.14 2cr9 h LYS 54 Cb 0.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2cr9 h LYS 54 CO -0.00 0.00 -0.43 0.41 -1.08 0.00 0.00 179.45 178.35 2cr9 n GLY 55 N -0.54 -0.50 3.99 3.86 0.00 -0.97 -4.95 105.19 106.08 2cr9 n GLY 55 Ca -0.00 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.81 4.25 -0.03 2.61 -4.23 -1.20 -4.87 115.64 109.36 2cr9 s THR 56 Ca 0.07 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 2cr9 s THR 56 Cb -0.04 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 2cr9 s THR 56 CO 0.09 -0.18 -0.13 0.20 -0.54 0.00 0.00 174.62 174.05 2cr9 s ASN 57 N -4.14 4.11 -0.02 3.99 -0.87 -1.26 0.01 114.94 116.76 2cr9 s ASN 57 Ca 0.43 -0.21 -0.03 0.00 -1.57 0.00 0.00 52.86 51.48 2cr9 s ASN 57 Cb -0.09 -0.86 0.00 0.00 -0.02 0.00 0.00 41.25 40.28 2cr9 s ASN 57 CO 0.31 0.33 0.07 -0.44 -2.57 0.00 0.00 177.10 174.80 2cr9 s SER 58 N -0.92 -0.01 -0.04 -1.22 0.01 0.52 -3.35 113.70 108.69 2cr9 s SER 58 Ca 0.13 -0.01 -0.01 0.00 1.31 0.00 0.00 55.95 57.37 2cr9 s SER 58 Cb -0.11 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.31 2cr9 s SER 58 CO 0.02 -0.13 0.04 -0.72 0.41 0.00 0.00 173.24 172.86 2cr9 s TYR 59 N -0.43 0.23 -0.33 2.43 1.13 -1.14 0.13 117.35 119.36 2cr9 s TYR 59 Ca -0.05 0.12 -0.05 0.00 -1.41 0.00 0.00 57.07 55.67 2cr9 s TYR 59 Cb -0.03 -0.52 0.04 0.00 -1.10 0.00 0.00 41.96 40.35 2cr9 s TYR 59 CO 0.00 -0.20 0.08 -0.47 -2.51 0.00 0.00 175.55 172.44 2cr9 s TYR 60 N 1.87 3.25 -0.05 -3.49 6.14 -0.68 -3.92 117.35 120.48 2cr9 s TYR 60 Ca 0.02 -1.53 -0.11 0.00 0.64 0.00 0.00 57.07 56.09 2cr9 s TYR 60 Cb -0.12 -2.23 -0.05 0.00 0.42 0.00 0.00 41.96 39.98 2cr9 s TYR 60 CO -0.03 -0.75 0.29 0.15 0.64 0.00 0.00 175.55 175.85 2cr9 s LYS 61 N 1.36 3.69 -0.12 4.97 -0.14 -0.39 -0.86 119.74 128.26 2cr9 s LYS 61 Ca -0.03 0.14 -0.01 0.00 -1.36 0.00 0.00 55.97 54.72 2cr9 s LYS 61 Cb -0.20 -3.19 0.03 0.00 -1.68 0.00 0.00 37.83 32.80 2cr9 s LYS 61 CO 0.02 0.72 -0.04 -1.17 -0.76 0.00 0.00 175.35 174.11 2cr9 s LEU 62 N -1.14 1.12 -0.08 3.17 2.96 -0.71 -1.84 118.68 122.17 2cr9 s LEU 62 Ca 0.21 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2cr9 s LEU 62 Cb -0.14 -0.74 0.04 0.00 0.50 0.00 0.00 46.19 45.84 2cr9 s LEU 62 CO 0.10 -0.16 0.05 -1.10 -1.32 0.00 0.00 176.35 173.91 2cr9 s GLN 63 N 1.77 0.16 -0.50 1.98 -0.21 -0.94 -1.98 119.66 119.94 2cr9 s GLN 63 Ca 0.04 0.20 -0.16 0.00 0.02 0.00 0.00 55.36 55.46 2cr9 s GLN 63 Cb -0.13 -0.92 0.09 0.00 1.00 0.00 0.00 33.01 33.05 2cr9 s GLN 63 CO -0.07 -0.39 0.43 -1.17 -2.12 0.00 0.00 175.29 171.97 2cr9 s LEU 64 N 2.10 5.81 0.63 2.90 2.96 -1.04 -2.09 118.68 129.96 2cr9 s LEU 64 Ca 0.04 -1.48 -0.12 0.00 -0.22 0.00 0.00 54.13 52.35 2cr9 s LEU 64 Cb -0.13 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 2cr9 s LEU 64 CO -0.05 -0.72 1.04 -0.76 -1.32 0.00 0.00 176.35 174.54 2cr9 s LEU 65 N 1.64 3.25 -0.20 -0.68 1.43 -0.84 0.18 118.68 123.46 2cr9 s LEU 65 Ca 0.04 1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 54.59 2cr9 s LEU 65 Cb -0.26 -4.48 0.10 0.00 0.03 0.00 0.00 46.19 41.57 2cr9 s LEU 65 CO 0.05 -1.03 0.40 -0.70 0.23 0.00 0.00 176.35 175.31 2cr9 s GLU 66 N -4.98 0.31 0.37 1.70 -6.30 0.21 -3.17 118.70 106.84 2cr9 s GLU 66 Ca 0.57 0.93 -0.28 0.00 -2.50 0.00 0.00 54.97 53.69 2cr9 s GLU 66 Cb -0.12 0.17 -0.10 0.00 0.00 0.00 0.00 34.13 34.08 2cr9 s GLU 66 CO 0.51 -0.32 1.39 0.34 0.02 0.00 0.00 175.26 177.20 2cr9 s ASP 67 N 2.59 6.48 -0.15 -1.70 -1.08 0.44 -2.34 116.67 120.90 2cr9 s ASP 67 Ca 0.01 2.86 -0.15 0.00 -0.52 0.00 0.00 52.55 54.75 2cr9 s ASP 67 Cb -0.13 -2.66 -0.05 0.00 -1.46 0.00 0.00 42.92 38.63 2cr9 s ASP 67 CO -0.13 -0.76 -0.28 -0.67 0.52 0.00 0.00 175.17 173.85 2cr9 n ASP 68 N 0.51 1.70 -0.11 -0.34 -0.08 -1.26 -4.42 116.55 112.55 2cr9 n ASP 68 Ca 0.01 0.34 -0.13 0.00 -1.51 0.00 0.00 54.79 53.51 2cr9 n ASP 68 Cb 0.41 -0.73 -0.09 0.00 2.34 0.00 0.00 41.12 43.05 2cr9 n ASP 68 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2cr9 h LYS 69 N -0.88 -0.36 0.00 -0.67 1.57 -1.93 -3.43 116.57 110.86 2cr9 h LYS 69 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2cr9 h LYS 69 Cb 0.81 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2cr9 h LYS 69 CO 0.00 -0.24 0.00 0.39 -0.57 0.00 0.00 179.45 179.03 2cr9 n GLU 70 N -5.12 1.57 -3.65 3.15 1.02 -1.26 -5.06 120.64 111.28 2cr9 n GLU 70 Ca -0.03 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.74 2cr9 n GLU 70 Cb 0.31 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.66 2cr9 n GLU 70 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2cr9 s ASN 71 N -0.93 5.85 0.08 1.62 3.84 -1.26 -4.63 114.94 119.52 2cr9 s ASN 71 Ca 0.00 -3.57 -0.02 0.00 0.21 0.00 0.00 52.86 49.47 2cr9 s ASN 71 Cb 0.00 -1.90 -0.03 0.00 -0.55 0.00 0.00 41.25 38.77 2cr9 s ASN 71 CO 0.00 -0.22 0.04 -0.13 -2.79 0.00 0.00 177.10 174.00 2cr9 s ARG 72 N -1.13 0.76 0.19 0.43 0.52 -1.26 -5.00 118.95 113.46 2cr9 s ARG 72 Ca 0.26 -1.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.06 2cr9 s ARG 72 Cb -0.09 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.64 2cr9 s ARG 72 CO -0.11 -0.19 0.46 0.71 0.02 0.00 0.00 175.30 176.19 2cr9 s TYR 73 N -3.96 0.03 0.03 -0.53 1.51 -1.26 0.17 117.35 113.35 2cr9 s TYR 73 Ca 0.13 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.71 2cr9 s TYR 73 Cb 0.07 0.27 0.00 0.00 -0.11 0.00 0.00 41.96 42.20 2cr9 s TYR 73 CO -0.06 -0.87 0.18 -1.58 -1.11 0.00 0.00 175.55 172.11 2cr9 s TRP 74 N -3.90 0.06 -0.42 2.71 0.51 -1.19 -2.32 118.94 114.39 2cr9 s TRP 74 Ca 0.12 -0.26 0.01 0.00 -2.12 0.00 0.00 56.10 53.85 2cr9 s TRP 74 Cb 0.00 -0.04 0.11 0.00 -0.81 0.00 0.00 33.47 32.74 2cr9 s TRP 74 CO -0.01 -0.41 0.17 0.42 -0.51 0.00 0.00 176.95 176.61 2cr9 s ILE 75 N -2.38 2.76 -0.43 2.03 -1.09 -0.17 -1.98 121.20 119.94 2cr9 s ILE 75 Ca -0.07 -2.49 -0.22 0.00 -2.23 0.00 0.00 60.65 55.65 2cr9 s ILE 75 Cb -0.02 -2.94 0.02 0.00 -1.58 0.00 0.00 42.46 37.94 2cr9 s ILE 75 CO -0.03 -0.69 0.70 0.12 -1.23 0.00 0.00 174.94 173.82 2cr9 s PHE 76 N 0.67 3.05 -0.23 3.97 5.36 -0.89 -3.38 117.98 126.54 2cr9 s PHE 76 Ca 0.12 0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.20 2cr9 s PHE 76 Cb -0.21 -3.45 0.04 0.00 -0.34 0.00 0.00 43.02 39.05 2cr9 s PHE 76 CO -0.05 -0.88 -0.13 1.03 -1.46 0.00 0.00 175.22 173.73 2cr9 s ARG 77 N 3.00 2.65 0.00 10.12 1.81 0.01 -2.21 118.95 134.32 2cr9 s ARG 77 Ca 0.26 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 53.19 2cr9 s ARG 77 Cb -0.13 -2.81 -0.04 0.00 -0.45 0.00 0.00 34.95 31.52 2cr9 s ARG 77 CO 0.20 -0.40 0.06 -1.54 -0.68 0.00 0.00 175.30 172.93 2cr9 s SER 78 N 1.22 5.49 0.34 0.23 1.04 -0.77 0.36 113.70 121.62 2cr9 s SER 78 Ca -0.02 0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.33 2cr9 s SER 78 Cb -0.17 -1.53 0.04 0.00 0.10 0.00 0.00 66.02 64.46 2cr9 s SER 78 CO -0.08 0.27 0.73 -1.66 0.98 0.00 0.00 173.24 173.48 2cr9 s TRP 79 N -1.17 0.07 0.00 5.02 -2.14 -0.19 -1.26 118.94 119.28 2cr9 s TRP 79 Ca 0.22 -0.63 0.00 0.00 2.66 0.00 0.00 56.10 58.35 2cr9 s TRP 79 Cb -0.12 0.70 0.00 0.00 -3.10 0.00 0.00 33.47 30.96 2cr9 s TRP 79 CO 0.13 -1.39 0.00 0.41 -2.66 0.00 0.00 176.95 173.44 2cr9 n GLY 80 N -0.50 1.99 3.57 3.67 0.00 -1.25 -1.50 105.19 111.17 2cr9 n GLY 80 Ca -0.06 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.71 -0.06 -0.06 1.61 3.00 -1.26 -2.89 118.95 117.58 2cr9 s ARG 81 Ca 0.00 1.14 -0.01 0.00 0.00 0.00 0.00 55.73 56.86 2cr9 s ARG 81 Cb 0.00 -1.63 -0.00 0.00 0.00 0.00 0.00 34.95 33.32 2cr9 s ARG 81 CO 0.00 -3.24 -0.02 0.28 0.00 0.00 0.00 175.30 172.32 2cr9 h VAL 82 N -2.29 0.00 -2.29 3.52 2.07 -1.90 -3.42 116.25 111.95 2cr9 h VAL 82 Ca -0.54 -0.57 -0.62 0.00 0.82 0.00 0.00 66.70 65.79 2cr9 h VAL 82 Cb 1.30 0.00 -0.40 0.00 -1.52 0.00 0.00 31.29 30.67 2cr9 h VAL 82 CO 0.47 0.00 -0.40 0.61 0.02 0.00 0.00 177.57 178.26 2cr9 n GLY 83 N 1.84 5.32 0.97 2.17 0.00 -1.26 -5.02 105.19 109.20 2cr9 n GLY 83 Ca -0.01 -2.76 -0.06 0.00 0.00 0.00 0.00 46.02 43.19 2cr9 n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cr9 n THR 84 N 0.29 0.00 0.08 2.61 -1.04 -1.26 -5.04 114.28 109.91 2cr9 n THR 84 Ca 0.32 -0.68 -0.08 0.00 -2.04 0.00 0.00 64.05 61.56 2cr9 n THR 84 Cb 0.38 0.36 0.03 0.00 -1.82 0.00 0.00 70.33 69.28 2cr9 n THR 84 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2cr9 h VAL 85 N 1.32 1.44 -3.52 12.58 -1.51 -1.95 -3.45 116.25 121.15 2cr9 h VAL 85 Ca -0.07 -2.35 -0.47 0.00 -1.23 0.00 0.00 66.70 62.58 2cr9 h VAL 85 Cb 0.36 2.28 0.21 0.00 -2.13 0.00 0.00 31.29 32.01 2cr9 h VAL 85 CO 0.10 0.69 -0.01 -0.38 -1.23 0.00 0.00 177.57 176.74 2cr9 n ILE 86 N -3.75 0.00 0.00 7.19 5.41 -1.26 -4.99 119.36 121.95 2cr9 n ILE 86 Ca -0.04 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.43 2cr9 n ILE 86 Cb 0.74 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 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 0.84 3.39 3.59 7.39 0.00 -1.26 -4.35 105.19 114.80 2cr9 n GLY 87 Ca 0.06 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.10 0.29 1.61 0.01 -0.56 -5.00 113.70 109.94 2cr9 s SER 88 Ca 0.00 -0.89 0.06 0.00 1.31 0.00 0.00 55.95 56.43 2cr9 s SER 88 Cb 0.00 0.59 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 2cr9 s SER 88 CO 0.00 -1.14 0.23 -0.46 0.41 0.00 0.00 173.24 172.28 2cr9 n ASN 89 N -0.38 -0.44 -3.59 2.44 6.94 -1.26 -1.02 115.26 117.95 2cr9 n ASN 89 Ca -0.02 -2.87 -0.14 0.00 -0.02 0.00 0.00 54.58 51.53 2cr9 n ASN 89 Cb 0.62 1.38 -0.12 0.00 -2.36 0.00 0.00 39.78 39.30 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 -3.17 0.19 -0.22 -3.83 2.20 0.16 -4.92 119.74 110.15 2cr9 s LYS 90 Ca 0.33 0.63 0.02 0.00 -0.36 0.00 0.00 55.97 56.58 2cr9 s LYS 90 Cb 0.02 -0.31 0.04 0.00 -1.51 0.00 0.00 37.83 36.07 2cr9 s LYS 90 CO 0.23 -0.40 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.50 2cr9 s LEU 91 N 2.43 2.73 -0.01 5.43 2.96 -1.25 -0.81 118.68 130.15 2cr9 s LEU 91 Ca 0.04 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.93 2cr9 s LEU 91 Cb -0.13 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.11 2cr9 s LEU 91 CO -0.10 -0.11 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.20 2cr9 s GLU 92 N 1.23 0.19 -0.17 1.98 0.41 -1.22 -4.94 118.70 116.18 2cr9 s GLU 92 Ca -0.02 0.02 -0.29 0.00 -0.41 0.00 0.00 54.97 54.27 2cr9 s GLU 92 Cb -0.17 -0.30 -0.01 0.00 -1.78 0.00 0.00 34.13 31.88 2cr9 s GLU 92 CO -0.09 -0.06 1.17 -1.14 -0.49 0.00 0.00 175.26 174.65 2cr9 s GLN 93 N 0.52 4.27 0.38 1.61 -0.44 -1.26 -0.99 119.66 123.75 2cr9 s GLN 93 Ca -0.05 1.55 -0.24 0.00 -2.50 0.00 0.00 55.36 54.12 2cr9 s GLN 93 Cb -0.08 -3.69 -0.10 0.00 -1.64 0.00 0.00 33.01 27.51 2cr9 s GLN 93 CO -0.01 -0.63 0.96 -1.64 0.50 0.00 0.00 175.29 174.48 2cr9 s MET 94 N 3.16 4.36 -0.06 1.67 -1.94 -0.98 -4.97 119.30 120.53 2cr9 s MET 94 Ca 0.51 1.27 -0.12 0.00 -1.71 0.00 0.00 55.69 55.64 2cr9 s MET 94 Cb -0.20 -2.50 -0.08 0.00 2.01 0.00 0.00 34.83 34.07 2cr9 s MET 94 CO 0.13 0.08 0.48 -1.00 -0.01 0.00 0.00 175.02 174.69 2cr9 h PRO 95 N 2.53 -0.28 -6.10 2.03 0.13 -1.93 -3.40 132.00 124.98 2cr9 h PRO 95 Ca -0.48 0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 63.98 2cr9 h PRO 95 Cb 1.19 0.06 -0.29 0.00 0.13 0.00 0.00 31.00 32.10 2cr9 h PRO 95 CO 0.63 -0.08 -0.84 0.45 -0.23 0.00 0.00 178.00 177.93 2cr9 s SER 96 N -5.28 3.43 0.18 1.44 0.15 -1.26 -5.00 113.70 107.37 2cr9 s SER 96 Ca -0.07 -0.40 -0.25 0.00 0.70 0.00 0.00 55.95 55.93 2cr9 s SER 96 Cb 0.00 -0.86 0.05 0.00 -1.71 0.00 0.00 66.02 63.50 2cr9 s SER 96 CO 0.23 0.27 1.51 1.17 1.20 0.00 0.00 173.24 177.62 2cr9 n LYS 97 N 2.78 -0.35 -0.24 5.44 3.00 -1.26 0.11 118.16 127.64 2cr9 n LYS 97 Ca -0.17 1.49 0.03 0.00 -0.00 0.00 0.00 58.31 59.66 2cr9 n LYS 97 Cb 0.52 -2.20 0.12 0.00 0.00 0.00 0.00 35.03 33.47 2cr9 n LYS 97 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2cr9 h GLU 98 N 0.00 0.06 0.00 1.64 5.08 -1.98 1.76 114.58 121.15 2cr9 h GLU 98 Ca 0.23 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2cr9 h GLU 98 Cb 0.47 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2cr9 h GLU 98 CO -0.94 0.04 -0.03 -0.44 -1.00 0.00 0.00 179.01 176.64 2cr9 h ASP 99 N 0.07 0.00 0.22 1.42 5.19 0.35 0.34 116.42 124.00 2cr9 h ASP 99 Ca 0.37 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.47 2cr9 h ASP 99 Cb 0.61 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.16 2cr9 h ASP 99 CO -0.66 0.03 -1.32 0.00 -3.12 0.00 0.00 179.24 174.17 2cr9 h ALA 100 N 1.97 -0.13 0.12 3.45 0.00 0.51 -2.76 119.26 122.42 2cr9 h ALA 100 Ca -0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 2cr9 h ALA 100 Cb 0.06 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2cr9 h ALA 100 CO 0.00 0.62 -0.06 0.82 0.00 0.00 0.00 179.25 180.64 2cr9 h ILE 101 N 0.06 1.01 -0.44 0.00 2.04 0.15 -2.24 117.51 118.09 2cr9 h ILE 101 Ca -0.23 -0.55 0.09 0.00 1.00 0.00 0.00 64.86 65.17 2cr9 h ILE 101 Cb 2.03 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 39.39 2cr9 h ILE 101 CO 0.25 0.13 -0.06 -0.33 0.00 0.00 0.00 178.15 178.14 2cr9 h GLU 102 N -0.43 0.05 -0.01 2.37 5.08 -0.50 2.52 114.58 123.67 2cr9 h GLU 102 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2cr9 h GLU 102 Cb 0.34 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2cr9 h GLU 102 CO 0.03 0.03 0.04 1.25 -1.00 0.00 0.00 179.01 179.36 2cr9 h HIS 103 N 0.05 0.00 0.00 4.33 2.76 -1.40 1.49 115.15 122.38 2cr9 h HIS 103 Ca 0.21 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.17 2cr9 h HIS 103 Cb 0.32 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.24 2cr9 h HIS 103 CO -0.34 0.00 -2.16 0.34 -1.30 0.00 0.00 177.93 174.48 2cr9 n PHE 104 N -3.23 0.08 0.06 5.26 7.35 0.23 -3.21 117.46 124.01 2cr9 n PHE 104 Ca -0.03 0.03 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 2cr9 n PHE 104 Cb 0.12 -0.82 -0.14 0.00 0.35 0.00 0.00 39.48 38.98 2cr9 n PHE 104 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 2cr9 h MET 105 N 0.00 0.29 0.02 -4.13 2.86 0.59 -3.12 114.93 111.43 2cr9 h MET 105 Ca -0.31 -0.50 -0.07 0.00 -2.06 0.00 0.00 59.70 56.77 2cr9 h MET 105 Cb 1.72 0.18 0.01 0.00 0.06 0.00 0.00 31.60 33.57 2cr9 h MET 105 CO 0.02 1.16 -0.28 -0.22 1.06 0.00 0.00 176.91 178.65 2cr9 h LYS 106 N 0.08 0.16 -0.19 1.72 3.64 0.18 -2.86 116.57 119.30 2cr9 h LYS 106 Ca -0.30 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 2cr9 h LYS 106 Cb 2.05 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.86 2cr9 h LYS 106 CO 0.16 0.97 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.92 2cr9 h LEU 107 N -0.56 -1.00 -0.03 5.20 3.38 -1.66 0.85 115.31 121.49 2cr9 h LEU 107 Ca -0.04 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2cr9 h LEU 107 Cb 1.08 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.27 2cr9 h LEU 107 CO 0.05 -0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.24 2cr9 n TYR 108 N -5.41 0.02 0.02 1.13 9.36 -1.18 -0.79 117.16 120.32 2cr9 n TYR 108 Ca -0.02 0.01 0.08 0.00 3.32 0.00 0.00 57.90 61.29 2cr9 n TYR 108 Cb 0.33 -0.52 -0.11 0.00 -0.63 0.00 0.00 39.34 38.41 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 -1.52 0.64 0.07 2.98 2.13 0.25 -3.49 120.64 121.70 2cr9 n GLU 109 Ca 0.01 -0.04 -0.23 0.00 0.66 0.00 0.00 57.16 57.57 2cr9 n GLU 109 Cb 0.07 -1.65 -0.15 0.00 0.27 0.00 0.00 31.44 29.99 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 0.38 0.51 5.31 4.11 0.18 0.13 114.58 125.19 2cr9 h GLU 110 Ca -0.06 -0.64 -0.02 0.00 0.07 0.00 0.00 59.36 58.70 2cr9 h GLU 110 Cb 1.17 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2cr9 h GLU 110 CO 0.01 1.31 -0.24 0.87 0.07 0.00 0.00 179.01 181.02 2cr9 h LYS 111 N -0.06 -0.66 -0.32 1.06 1.79 -1.53 -3.29 116.57 113.57 2cr9 h LYS 111 Ca -0.29 0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.06 2cr9 h LYS 111 Cb 1.97 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 32.76 2cr9 h LYS 111 CO 0.16 -0.44 -0.43 1.79 -1.08 0.00 0.00 179.45 179.45 2cr9 h THR 112 N -0.86 1.28 0.00 -0.16 1.35 -1.61 -0.54 112.91 112.37 2cr9 h THR 112 Ca -0.07 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2cr9 h THR 112 Cb 0.52 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2cr9 h THR 112 CO 0.11 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 2cr9 n GLY 113 N 0.16 3.29 3.92 5.82 0.00 0.44 -4.36 105.19 114.45 2cr9 n GLY 113 Ca -0.03 0.00 -0.29 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 -0.72 6.28 0.77 1.61 -0.87 -1.20 -4.81 114.94 116.00 2cr9 s ASN 114 Ca 0.00 0.21 -0.14 0.00 -1.57 0.00 0.00 52.86 51.36 2cr9 s ASN 114 Cb 0.00 -1.90 0.06 0.00 -0.02 0.00 0.00 41.25 39.39 2cr9 s ASN 114 CO 0.00 0.13 1.20 0.00 -2.57 0.00 0.00 177.10 175.86 2cr9 s ALA 115 N -1.59 1.99 0.11 0.60 0.00 -1.26 -4.03 121.76 117.58 2cr9 s ALA 115 Ca 0.34 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 53.07 2cr9 s ALA 115 Cb -0.12 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.39 2cr9 s ALA 115 CO 0.28 -2.07 1.27 2.35 0.00 0.00 0.00 175.76 177.59 2cr9 h TRP 116 N -0.62 0.72 -2.17 0.00 2.91 -1.86 -3.28 115.95 111.65 2cr9 h TRP 116 Ca -0.47 -0.39 -0.78 0.00 1.13 0.00 0.00 58.89 58.38 2cr9 h TRP 116 Cb 1.29 -0.08 -0.29 0.00 -0.51 0.00 0.00 29.16 29.58 2cr9 h TRP 116 CO 0.47 1.22 0.87 0.72 -1.03 0.00 0.00 178.44 180.69 2cr9 n HIS 117 N -3.77 2.94 -4.33 2.65 8.25 -1.26 -4.96 115.22 114.74 2cr9 n HIS 117 Ca -0.08 -2.63 -0.17 0.00 -0.26 0.00 0.00 57.72 54.58 2cr9 n HIS 117 Cb 0.85 -1.11 -0.10 0.00 1.12 0.00 0.00 29.99 30.75 2cr9 n HIS 117 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2cr9 s SER 118 N -1.51 1.94 0.19 0.41 0.01 -1.24 -5.16 113.70 108.35 2cr9 s SER 118 Ca 0.43 -1.18 0.06 0.00 1.31 0.00 0.00 55.95 56.57 2cr9 s SER 118 Cb 0.26 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 2cr9 s SER 118 CO -0.20 -0.46 0.11 -0.54 0.41 0.00 0.00 173.24 172.56 2cr9 s LYS 119 N -3.83 2.78 0.22 12.44 1.02 -1.26 -4.94 119.74 126.17 2cr9 s LYS 119 Ca 0.27 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.28 2cr9 s LYS 119 Cb 0.05 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 2cr9 s LYS 119 CO 0.08 0.46 0.00 -1.71 -0.92 0.00 0.00 175.35 173.26 2cr9 n ASN 120 N -0.47 -8.72 -4.54 2.83 2.85 -1.26 -4.98 115.26 100.96 2cr9 n ASN 120 Ca -0.08 1.32 -0.34 0.00 -0.11 0.00 0.00 54.58 55.37 2cr9 n ASN 120 Cb 0.56 -4.90 -0.12 0.00 1.24 0.00 0.00 39.78 36.56 2cr9 n ASN 120 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 2cr9 s PHE 121 N -0.61 2.99 -0.25 1.20 5.36 -1.26 -5.06 117.98 120.35 2cr9 s PHE 121 Ca 0.00 -0.14 -0.03 0.00 -0.96 0.00 0.00 56.93 55.80 2cr9 s PHE 121 Cb 0.00 -1.83 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 2cr9 s PHE 121 CO 0.00 0.15 -0.04 0.99 -1.46 0.00 0.00 175.22 174.86 2cr9 s THR 122 N -0.25 3.07 -0.85 0.12 2.01 -1.26 -5.05 115.64 113.44 2cr9 s THR 122 Ca 0.04 -0.92 -0.25 0.00 0.31 0.00 0.00 61.69 60.87 2cr9 s THR 122 Cb -0.13 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.84 2cr9 s THR 122 CO 0.02 0.21 1.66 -0.75 -0.69 0.00 0.00 174.62 175.08 2cr9 s LYS 123 N 1.37 2.99 0.53 4.92 2.36 -1.26 -4.96 119.74 125.69 2cr9 s LYS 123 Ca 0.01 -0.35 -0.05 0.00 -2.55 0.00 0.00 55.97 53.03 2cr9 s LYS 123 Cb -0.16 -4.86 -0.01 0.00 -1.05 0.00 0.00 37.83 31.75 2cr9 s LYS 123 CO -0.03 -2.68 0.82 0.71 1.55 0.00 0.00 175.35 175.72 2cr9 s TYR 124 N 7.57 3.36 -0.11 4.03 2.02 -1.26 -5.02 117.35 127.94 2cr9 s TYR 124 Ca 0.56 0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 57.61 2cr9 s TYR 124 Cb -0.06 -2.51 -0.02 0.00 -0.40 0.00 0.00 41.96 38.97 2cr9 s TYR 124 CO 0.03 -0.55 1.25 -1.25 -1.57 0.00 0.00 175.55 173.46 2cr9 s PRO 125 N -4.83 4.29 0.00 -1.71 0.04 -1.26 -2.31 135.00 129.22 2cr9 s PRO 125 Ca 0.51 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2cr9 s PRO 125 Cb -0.10 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2cr9 s PRO 125 CO 0.44 -0.59 0.00 1.63 0.04 0.00 0.00 177.00 178.52 2cr9 n LYS 126 N 5.93 0.00 -2.75 4.56 5.02 -1.26 -5.00 118.16 124.67 2cr9 n LYS 126 Ca 0.13 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 2cr9 n LYS 126 Cb 0.45 -1.23 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.20 4.65 0.36 1.97 -0.14 -0.98 -4.96 119.74 120.44 2cr9 s LYS 127 Ca 0.00 1.41 -0.26 0.00 -1.36 0.00 0.00 55.97 55.75 2cr9 s LYS 127 Cb 0.00 -3.39 -0.09 0.00 -1.68 0.00 0.00 37.83 32.67 2cr9 s LYS 127 CO 0.00 0.17 1.08 -0.06 -0.76 0.00 0.00 175.35 175.79 2cr9 s PHE 128 N 0.17 3.35 0.20 3.18 0.40 -0.21 -4.66 117.98 120.42 2cr9 s PHE 128 Ca 0.47 1.65 0.03 0.00 -0.60 0.00 0.00 56.93 58.48 2cr9 s PHE 128 Cb -0.23 -3.22 -0.05 0.00 0.51 0.00 0.00 43.02 40.03 2cr9 s PHE 128 CO 0.29 -0.69 -0.02 1.52 0.70 0.00 0.00 175.22 177.02 2cr9 s TYR 129 N -1.44 1.42 -0.13 0.36 -0.85 -1.23 -3.57 117.35 111.92 2cr9 s TYR 129 Ca 0.53 -0.93 -0.29 0.00 -0.52 0.00 0.00 57.07 55.86 2cr9 s TYR 129 Cb -0.27 -0.80 -0.02 0.00 0.38 0.00 0.00 41.96 41.25 2cr9 s TYR 129 CO 0.34 -0.07 1.26 -1.25 -1.52 0.00 0.00 175.55 174.31 2cr9 s PRO 130 N -3.86 4.27 0.00 -3.49 0.04 -1.26 -0.10 135.00 130.60 2cr9 s PRO 130 Ca 0.25 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2cr9 s PRO 130 Cb 0.05 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.89 2cr9 s PRO 130 CO 0.06 -0.63 0.05 1.28 0.04 0.00 0.00 177.00 177.80 2cr9 n LEU 131 N 6.19 0.27 -4.77 -3.56 4.77 -0.36 -4.81 117.00 114.73 2cr9 n LEU 131 Ca 0.13 0.05 -0.40 0.00 -0.03 0.00 0.00 56.01 55.76 2cr9 n LEU 131 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2cr9 n LEU 131 CO 0.56 0.00 0.90 -0.70 -1.33 0.00 0.00 177.39 176.81 2cr9 s GLU 132 N -0.10 4.44 0.04 3.23 -6.30 -1.26 -5.04 118.70 113.72 2cr9 s GLU 132 Ca 0.00 2.03 0.01 0.00 -2.50 0.00 0.00 54.97 54.51 2cr9 s GLU 132 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 34.13 31.02 2cr9 s GLU 132 CO 0.00 -0.04 -0.05 0.42 0.02 0.00 0.00 175.26 175.61 2cr9 s ILE 133 N -1.17 0.35 0.15 -3.70 1.01 -1.26 -4.91 121.20 111.67 2cr9 s ILE 133 Ca 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2cr9 s ILE 133 Cb -0.36 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2cr9 s ILE 133 CO 0.47 -0.58 0.04 -0.55 0.00 0.00 0.00 174.94 174.32 2cr9 s SER 134 N -1.92 0.68 0.17 3.58 0.15 -1.26 -4.95 113.70 110.15 2cr9 s SER 134 Ca -0.07 -1.20 0.07 0.00 0.70 0.00 0.00 55.95 55.45 2cr9 s SER 134 Cb -0.05 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 2cr9 s SER 134 CO -0.02 -0.67 -0.14 -0.83 1.20 0.00 0.00 173.24 172.77 2cr9 s GLY 135 N -3.10 1.31 0.00 9.45 0.00 -0.86 -3.38 107.32 110.73 2cr9 s GLY 135 Ca 0.24 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.42 2cr9 s GLY 135 CO 0.03 -1.62 0.00 -1.55 0.00 0.00 0.00 173.10 169.96 2cr9 n PRO 136 N -0.08 0.26 0.15 2.90 -0.04 -0.81 -4.72 135.00 132.67 2cr9 n PRO 136 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2cr9 n PRO 136 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 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 -1.48 -1.53 -4.75 3.54 2.88 -1.26 -5.05 113.62 105.97 2cr9 n SER 137 Ca 0.00 0.54 -0.26 0.00 -1.33 0.00 0.00 58.87 57.81 2cr9 n SER 137 Cb 0.00 1.58 -0.07 0.00 -0.75 0.00 0.00 64.21 64.97 2cr9 n SER 137 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr9 s SER 138 N -3.74 4.35 0.00 -3.46 0.15 -1.26 -5.29 113.70 104.45 2cr9 s SER 138 Ca 0.00 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2cr9 s SER 138 Cb 0.00 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2cr9 s SER 138 CO 0.00 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.41