#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 -0.13 0.30 1.61 1.04 -1.26 -5.10 113.70 110.16 2cr9 s SER 2 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2cr9 s SER 2 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2cr9 s SER 2 CO 0.00 -0.79 0.00 -0.24 0.98 0.00 0.00 173.24 173.19 2cr9 n SER 3 N -0.55 -0.26 0.00 7.02 2.88 -1.26 -5.12 113.62 116.33 2cr9 n SER 3 Ca -0.06 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2cr9 n SER 3 Cb 0.61 0.49 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 2cr9 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr9 n GLY 4 N 1.45 0.96 1.04 0.46 0.00 -1.26 -5.06 105.19 102.78 2cr9 n GLY 4 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 -5.63 0.00 1.61 7.64 -1.26 -5.09 113.62 110.89 2cr9 n SER 5 Ca 0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2cr9 n SER 5 Cb 0.00 -3.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.95 2cr9 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cr9 n SER 6 N -2.76 0.00 -2.54 6.43 3.41 -1.26 -5.19 113.62 111.71 2cr9 n SER 6 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 2cr9 n SER 6 Cb 0.38 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 2cr9 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr9 n GLY 7 N -0.01 1.85 3.83 5.00 0.00 -1.26 -5.19 105.19 109.40 2cr9 n GLY 7 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.53 2cr9 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr9 s LYS 8 N -2.42 1.80 0.12 1.61 1.02 -1.26 -5.19 119.74 115.43 2cr9 s LYS 8 Ca 0.19 -1.09 -0.26 0.00 0.02 0.00 0.00 55.97 54.83 2cr9 s LYS 8 Cb -0.02 0.55 0.08 0.00 -0.52 0.00 0.00 37.83 37.92 2cr9 s LYS 8 CO 0.14 -0.84 1.05 -1.54 -0.92 0.00 0.00 175.35 173.24 2cr9 s SER 9 N -3.05 -0.11 0.22 2.83 1.04 -1.26 -5.19 113.70 108.18 2cr9 s SER 9 Ca 0.14 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.19 2cr9 s SER 9 Cb -0.04 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 2cr9 s SER 9 CO 0.08 -0.79 0.08 -1.61 0.98 0.00 0.00 173.24 171.97 2cr9 s GLU 10 N -2.89 1.29 -0.11 4.02 2.02 -1.26 -5.17 118.70 116.61 2cr9 s GLU 10 Ca 0.15 -1.68 -0.32 0.00 0.02 0.00 0.00 54.97 53.14 2cr9 s GLU 10 Cb -0.00 -0.18 0.12 0.00 0.10 0.00 0.00 34.13 34.17 2cr9 s GLU 10 CO 0.02 -0.26 1.05 0.21 0.02 0.00 0.00 175.26 176.29 2cr9 s LYS 11 N -4.02 0.55 0.01 1.61 2.36 -1.26 -5.18 119.74 113.82 2cr9 s LYS 11 Ca 0.34 -0.16 0.01 0.00 -2.55 0.00 0.00 55.97 53.61 2cr9 s LYS 11 Cb 0.07 0.26 -0.01 0.00 -1.05 0.00 0.00 37.83 37.10 2cr9 s LYS 11 CO 0.11 -0.23 -0.03 0.50 1.55 0.00 0.00 175.35 177.24 2cr9 s ARG 12 N -2.53 0.28 0.02 4.03 3.00 -1.26 -5.16 118.95 117.33 2cr9 s ARG 12 Ca 0.06 -0.31 -0.28 0.00 -1.00 0.00 0.00 55.73 54.21 2cr9 s ARG 12 Cb -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 34.95 34.86 2cr9 s ARG 12 CO -0.06 0.03 0.64 1.41 0.00 0.00 0.00 175.30 177.32 2cr9 s MET 13 N -0.60 1.12 -0.97 5.12 1.75 -1.26 -5.09 119.30 119.37 2cr9 s MET 13 Ca -0.04 -0.01 -0.23 0.00 -1.25 0.00 0.00 55.69 54.15 2cr9 s MET 13 Cb -0.04 0.52 0.05 0.00 2.84 0.00 0.00 34.83 38.20 2cr9 s MET 13 CO -0.00 -0.40 1.40 0.21 -0.65 0.00 0.00 175.02 175.58 2cr9 s LYS 14 N -2.09 3.53 -0.15 4.11 2.47 -1.26 -4.90 119.74 121.45 2cr9 s LYS 14 Ca -0.07 -1.04 -0.04 0.00 -1.56 0.00 0.00 55.97 53.26 2cr9 s LYS 14 Cb -0.00 -5.17 0.07 0.00 -1.46 0.00 0.00 37.83 31.27 2cr9 s LYS 14 CO 0.02 -2.17 0.18 -1.17 0.16 0.00 0.00 175.35 172.36 2cr9 s LEU 15 N 4.93 -0.02 0.70 5.43 2.96 -1.26 -5.14 118.68 126.28 2cr9 s LEU 15 Ca 0.43 -0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 54.11 2cr9 s LEU 15 Cb -0.02 0.24 -0.01 0.00 0.50 0.00 0.00 46.19 46.90 2cr9 s LEU 15 CO -0.07 -0.30 0.85 1.07 -1.32 0.00 0.00 176.35 176.58 2cr9 n THR 16 N 5.31 2.67 -0.08 3.68 5.66 -1.26 -4.97 114.28 125.30 2cr9 n THR 16 Ca -0.05 -0.40 -0.15 0.00 -3.05 0.00 0.00 64.05 60.40 2cr9 n THR 16 Cb 0.50 -1.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.22 2cr9 n THR 16 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2cr9 n LEU 17 N -1.16 1.58 -0.98 1.09 7.94 -1.26 -5.11 117.00 119.11 2cr9 n LEU 17 Ca 0.12 0.27 0.13 0.00 -1.11 0.00 0.00 56.01 55.42 2cr9 n LEU 17 Cb 0.49 -0.62 -0.03 0.00 0.53 0.00 0.00 43.42 43.79 2cr9 n LEU 17 CO 0.49 0.03 -0.19 1.17 -1.11 0.00 0.00 177.39 177.78 2cr9 n LYS 18 N -4.06 -1.95 0.00 1.96 4.81 -1.26 -4.86 118.16 112.79 2cr9 n LYS 18 Ca -0.26 1.30 0.00 0.00 -0.87 0.00 0.00 58.31 58.48 2cr9 n LYS 18 Cb 0.59 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.26 2cr9 n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cr9 n GLY 19 N -3.04 2.13 0.00 3.14 0.00 -1.26 -4.95 105.19 101.21 2cr9 n GLY 19 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2cr9 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr9 n GLY 20 N 0.00 3.76 3.82 -0.02 0.00 -1.26 -5.06 105.19 106.42 2cr9 n GLY 20 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.48 2.35 0.17 4.61 0.00 -1.26 -5.02 121.76 120.14 2cr9 s ALA 21 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.48 2cr9 s ALA 21 Cb 0.00 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 2cr9 s ALA 21 CO 0.00 -1.65 0.73 0.00 0.00 0.00 0.00 175.76 174.83 2cr9 s ALA 22 N -3.21 3.46 0.37 0.00 0.00 -1.26 -4.07 121.76 117.05 2cr9 s ALA 22 Ca 0.60 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 2cr9 s ALA 22 Cb -0.14 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 2cr9 s ALA 22 CO 0.54 0.32 0.65 0.08 0.00 0.00 0.00 175.76 177.35 2cr9 s VAL 23 N -1.29 4.97 0.26 0.00 1.01 -1.26 -4.84 120.40 119.24 2cr9 s VAL 23 Ca 0.38 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2cr9 s VAL 23 Cb -0.20 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 2cr9 s VAL 23 CO 0.23 -0.54 0.98 -0.62 0.00 0.00 0.00 175.10 175.14 2cr9 s ASP 24 N -3.59 7.54 0.31 3.32 2.15 -1.26 -4.81 116.67 120.33 2cr9 s ASP 24 Ca 0.45 2.01 0.16 0.00 0.43 0.00 0.00 52.55 55.60 2cr9 s ASP 24 Cb -0.10 -2.61 0.39 0.00 -0.30 0.00 0.00 42.92 40.30 2cr9 s ASP 24 CO 0.35 0.07 1.60 1.55 -0.17 0.00 0.00 175.17 178.57 2cr9 h PRO 25 N 3.99 0.00 0.00 4.34 0.13 -1.97 -2.80 132.00 135.69 2cr9 h PRO 25 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.67 0.50 0.00 0.22 -0.23 0.00 0.00 178.00 179.17 2cr9 h ASP 26 N 0.00 0.00 1.07 1.44 3.58 -2.03 -1.53 116.42 118.94 2cr9 h ASP 26 Ca -0.01 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2cr9 h ASP 26 Cb 1.14 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 2cr9 h ASP 26 CO 0.07 0.00 -0.79 0.77 -2.88 0.00 0.00 179.24 176.41 2cr9 h SER 27 N 0.00 0.00 0.00 2.28 4.64 -1.90 -3.47 113.55 115.10 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 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2cr9 h SER 27 CO 0.00 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 2cr9 n GLY 28 N 1.11 0.66 0.94 -0.77 0.00 -0.58 -4.82 105.19 101.73 2cr9 n GLY 28 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 3.89 0.10 0.99 4.77 -1.26 -4.41 117.00 121.07 2cr9 n LEU 29 Ca 0.00 -2.85 0.13 0.00 -0.03 0.00 0.00 56.01 53.26 2cr9 n LEU 29 Cb 0.03 -0.51 0.37 0.00 -2.33 0.00 0.00 43.42 40.99 2cr9 n LEU 29 CO 0.00 0.68 0.81 -1.84 -1.33 0.00 0.00 177.39 175.71 2cr9 n GLU 30 N -0.25 0.26 -0.02 3.23 0.28 -1.25 -0.00 120.64 122.89 2cr9 n GLU 30 Ca 0.20 0.19 0.01 0.00 -0.16 0.00 0.00 57.16 57.40 2cr9 n GLU 30 Cb 0.85 -1.78 0.02 0.00 1.43 0.00 0.00 31.44 31.95 2cr9 n GLU 30 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2cr9 n HIS 31 N -2.22 0.05 0.04 -1.84 1.44 -1.26 -4.76 115.22 106.67 2cr9 n HIS 31 Ca 0.05 -0.40 0.00 0.00 -2.01 0.00 0.00 57.72 55.36 2cr9 n HIS 31 Cb 0.43 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.50 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 -0.26 0.27 -4.94 4.39 7.64 -1.19 -5.11 113.62 114.41 2cr9 n SER 32 Ca 0.02 0.14 -0.24 0.00 1.01 0.00 0.00 58.87 59.80 2cr9 n SER 32 Cb 0.23 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.43 2cr9 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr9 s ALA 33 N -2.00 4.50 0.10 -0.43 0.00 1.00 -2.92 121.76 122.01 2cr9 s ALA 33 Ca 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.31 2cr9 s ALA 33 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2cr9 s ALA 33 CO 0.00 -0.56 0.12 -3.38 0.00 0.00 0.00 175.76 171.94 2cr9 s HIS 34 N -2.71 0.45 -0.21 0.00 -3.43 0.96 -4.28 115.29 106.07 2cr9 s HIS 34 Ca 0.44 -0.89 -0.35 0.00 -0.80 0.00 0.00 55.06 53.46 2cr9 s HIS 34 Cb -0.03 -0.24 -0.12 0.00 -1.43 0.00 0.00 32.58 30.76 2cr9 s HIS 34 CO 0.27 -0.53 1.97 0.28 -2.00 0.00 0.00 174.74 174.73 2cr9 n VAL 35 N -0.05 0.41 -1.62 -5.38 0.31 -1.26 -0.50 118.33 110.24 2cr9 n VAL 35 Ca -0.11 -0.17 -0.47 0.00 -0.01 0.00 0.00 64.34 63.59 2cr9 n VAL 35 Cb 0.62 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.76 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 7.69 3.31 -4.74 7.52 -0.00 0.54 -4.70 117.00 126.62 2cr9 n LEU 36 Ca 0.29 0.71 -0.32 0.00 -0.00 0.00 0.00 56.01 56.68 2cr9 n LEU 36 Cb 0.26 -1.42 -0.08 0.00 -0.00 0.00 0.00 43.42 42.19 2cr9 n LEU 36 CO 0.75 -0.26 -0.28 -1.61 -0.00 0.00 0.00 177.39 175.99 2cr9 s GLU 37 N 4.98 2.93 -0.10 1.96 2.02 -1.26 -1.92 118.70 127.31 2cr9 s GLU 37 Ca 0.97 -0.56 -0.23 0.00 0.02 0.00 0.00 54.97 55.17 2cr9 s GLU 37 Cb -0.60 -2.77 0.05 0.00 0.10 0.00 0.00 34.13 30.91 2cr9 s GLU 37 CO 0.46 0.63 0.54 0.21 0.02 0.00 0.00 175.26 177.12 2cr9 s LYS 38 N -1.74 0.82 -1.55 1.61 2.20 -0.81 -4.93 119.74 115.34 2cr9 s LYS 38 Ca 0.22 0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 56.07 2cr9 s LYS 38 Cb -0.12 0.38 0.07 0.00 -1.51 0.00 0.00 37.83 36.66 2cr9 s LYS 38 CO 0.13 -0.20 0.56 0.41 -0.36 0.00 0.00 175.35 175.89 2cr9 n GLY 39 N 1.65 -0.32 2.97 5.54 0.00 -1.26 0.77 105.19 114.55 2cr9 n GLY 39 Ca -0.18 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.77 -0.50 3.50 -0.02 0.00 -1.26 -4.95 105.19 100.19 2cr9 n GLY 40 Ca -0.14 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.62 1.79 -0.03 1.61 -0.14 0.23 -5.03 119.74 112.55 2cr9 s LYS 41 Ca 0.25 -2.05 0.06 0.00 -1.36 0.00 0.00 55.97 52.87 2cr9 s LYS 41 Cb -0.12 -0.81 -0.01 0.00 -1.68 0.00 0.00 37.83 35.20 2cr9 s LYS 41 CO 0.31 -0.31 -0.22 0.08 -0.76 0.00 0.00 175.35 174.45 2cr9 s VAL 42 N -3.24 1.76 -0.86 3.17 1.01 -1.26 -1.92 120.40 119.06 2cr9 s VAL 42 Ca 0.30 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 2cr9 s VAL 42 Cb 0.06 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 35.00 2cr9 s VAL 42 CO 0.14 0.50 2.75 0.49 0.00 0.00 0.00 175.10 178.97 2cr9 n PHE 43 N 2.73 1.88 -3.74 5.22 3.01 -0.81 -4.77 117.46 120.97 2cr9 n PHE 43 Ca -0.16 -2.35 -0.30 0.00 1.01 0.00 0.00 57.45 55.65 2cr9 n PHE 43 Cb 0.52 -1.70 -0.15 0.00 -0.01 0.00 0.00 39.48 38.15 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 4.04 -0.07 4.37 0.15 -1.26 -2.07 113.70 119.61 2cr9 s SER 44 Ca 0.59 -1.70 0.03 0.00 0.70 0.00 0.00 55.95 55.57 2cr9 s SER 44 Cb 0.28 -0.90 0.01 0.00 -1.71 0.00 0.00 66.02 63.70 2cr9 s SER 44 CO -0.13 -0.41 -0.17 0.00 1.20 0.00 0.00 173.24 173.73 2cr9 s ALA 45 N 1.54 1.64 -0.45 5.45 0.00 -0.76 -5.04 121.76 124.13 2cr9 s ALA 45 Ca 0.10 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 2cr9 s ALA 45 Cb -0.18 -0.64 0.11 0.00 0.00 0.00 0.00 23.12 22.41 2cr9 s ALA 45 CO -0.23 0.21 0.31 0.99 0.00 0.00 0.00 175.76 177.03 2cr9 s THR 46 N 0.43 4.15 0.53 0.00 2.01 -1.26 -1.62 115.64 119.88 2cr9 s THR 46 Ca -0.14 -1.68 -0.14 0.00 0.31 0.00 0.00 61.69 60.04 2cr9 s THR 46 Cb -0.16 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 2cr9 s THR 46 CO 0.05 -0.68 0.97 -0.76 -0.69 0.00 0.00 174.62 173.51 2cr9 s LEU 47 N 1.37 3.53 -0.25 4.42 1.02 0.15 -0.21 118.68 128.71 2cr9 s LEU 47 Ca 0.05 1.46 -0.06 0.00 0.02 0.00 0.00 54.13 55.60 2cr9 s LEU 47 Cb -0.25 -4.42 0.13 0.00 0.02 0.00 0.00 46.19 41.66 2cr9 s LEU 47 CO -0.00 -0.65 0.50 -0.83 0.02 0.00 0.00 176.35 175.39 2cr9 s GLY 48 N -3.45 -0.57 -0.00 -3.19 0.00 0.84 -1.27 107.32 99.69 2cr9 s GLY 48 Ca 0.57 1.66 0.06 0.00 0.00 0.00 0.00 44.72 47.00 2cr9 s GLY 48 CO 0.38 2.79 -0.18 -2.27 0.00 0.00 0.00 173.10 173.83 2cr9 s LEU 49 N 2.71 2.06 -0.09 0.66 1.98 -0.36 -3.56 118.68 122.08 2cr9 s LEU 49 Ca 0.04 -0.35 -0.05 0.00 -2.89 0.00 0.00 54.13 50.88 2cr9 s LEU 49 Cb -0.13 -0.88 0.04 0.00 0.66 0.00 0.00 46.19 45.87 2cr9 s LEU 49 CO -0.16 0.20 0.21 0.54 -1.89 0.00 0.00 176.35 175.24 2cr9 s VAL 50 N -0.48 -0.03 0.31 1.68 0.11 -1.26 0.27 120.40 120.99 2cr9 s VAL 50 Ca 0.06 0.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.99 2cr9 s VAL 50 Cb -0.07 -0.32 -0.10 0.00 -1.53 0.00 0.00 36.38 34.36 2cr9 s VAL 50 CO -0.00 0.05 0.90 -1.81 -3.33 0.00 0.00 175.10 170.90 2cr9 s ASP 51 N 0.98 7.26 -0.16 3.54 1.01 0.24 -4.94 116.67 124.60 2cr9 s ASP 51 Ca -0.07 1.74 0.07 0.00 0.71 0.00 0.00 52.55 55.00 2cr9 s ASP 51 Cb -0.09 -2.54 -0.23 0.00 1.01 0.00 0.00 42.92 41.07 2cr9 s ASP 51 CO -0.06 -0.06 0.19 0.00 0.21 0.00 0.00 175.17 175.46 2cr9 n ILE 52 N 0.55 1.55 -0.04 0.77 3.06 -1.26 -3.19 119.36 120.79 2cr9 n ILE 52 Ca 0.01 -0.72 -0.01 0.00 -2.50 0.00 0.00 62.75 59.53 2cr9 n ILE 52 Cb 0.50 -1.13 -0.00 0.00 0.54 0.00 0.00 39.64 39.55 2cr9 n ILE 52 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 2cr9 h VAL 53 N 0.02 0.00 0.00 9.51 2.07 -1.97 -3.32 116.25 122.56 2cr9 h VAL 53 Ca -0.47 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.26 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 0.02 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.90 2cr9 n LYS 54 N -4.17 0.12 -2.65 1.57 4.76 -1.26 -4.81 118.16 111.72 2cr9 n LYS 54 Ca -0.02 0.55 -0.17 0.00 -2.87 0.00 0.00 58.31 55.80 2cr9 n LYS 54 Cb 0.07 -1.85 -0.00 0.00 -1.84 0.00 0.00 35.03 31.41 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 -0.98 -0.50 3.39 0.72 0.00 -1.19 -4.94 105.19 101.69 2cr9 n GLY 55 Ca -0.00 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.83 4.06 0.43 2.61 -4.23 -1.21 -4.89 115.64 109.58 2cr9 s THR 56 Ca 0.10 -0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 60.13 2cr9 s THR 56 Cb -0.05 -2.95 -0.06 0.00 1.34 0.00 0.00 72.50 70.78 2cr9 s THR 56 CO 0.12 0.27 0.78 0.20 -0.54 0.00 0.00 174.62 175.46 2cr9 s ASN 57 N 1.56 6.44 0.07 3.99 -0.87 -1.26 0.80 114.94 125.67 2cr9 s ASN 57 Ca 0.05 1.09 -0.15 0.00 -1.57 0.00 0.00 52.86 52.28 2cr9 s ASN 57 Cb -0.16 -2.31 0.03 0.00 -0.02 0.00 0.00 41.25 38.79 2cr9 s ASN 57 CO 0.02 -0.47 0.35 -0.55 -2.57 0.00 0.00 177.10 173.88 2cr9 s SER 58 N -3.46 -0.17 -0.19 -1.22 0.15 0.78 -2.95 113.70 106.63 2cr9 s SER 58 Ca 0.50 -0.23 -0.08 0.00 0.70 0.00 0.00 55.95 56.84 2cr9 s SER 58 Cb -0.10 0.41 0.08 0.00 -1.71 0.00 0.00 66.02 64.69 2cr9 s SER 58 CO 0.36 -0.71 0.42 -0.72 1.20 0.00 0.00 173.24 173.79 2cr9 s TYR 59 N -3.04 -0.73 0.10 3.44 -0.85 -0.95 -1.22 117.35 114.10 2cr9 s TYR 59 Ca -0.02 1.45 0.08 0.00 -0.52 0.00 0.00 57.07 58.05 2cr9 s TYR 59 Cb 0.01 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 2cr9 s TYR 59 CO -0.06 -0.43 -0.12 -0.47 -1.52 0.00 0.00 175.55 172.94 2cr9 s TYR 60 N 2.14 2.68 -0.04 -3.49 5.04 -0.40 -3.64 117.35 119.65 2cr9 s TYR 60 Ca -0.05 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.41 2cr9 s TYR 60 Cb -0.11 -1.41 0.01 0.00 0.35 0.00 0.00 41.96 40.80 2cr9 s TYR 60 CO -0.13 0.41 -0.07 0.15 -1.34 0.00 0.00 175.55 174.57 2cr9 s LYS 61 N -2.15 0.98 -0.18 4.97 -0.14 -0.29 0.33 119.74 123.26 2cr9 s LYS 61 Ca 0.20 -0.22 -0.00 0.00 -1.36 0.00 0.00 55.97 54.59 2cr9 s LYS 61 Cb -0.11 -0.91 0.05 0.00 -1.68 0.00 0.00 37.83 35.17 2cr9 s LYS 61 CO 0.12 0.01 -0.05 -1.17 -0.76 0.00 0.00 175.35 173.51 2cr9 s LEU 62 N 0.57 1.72 -0.10 3.17 2.96 -0.64 -2.43 118.68 123.92 2cr9 s LEU 62 Ca -0.09 -0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 53.05 2cr9 s LEU 62 Cb -0.12 -0.93 0.04 0.00 0.50 0.00 0.00 46.19 45.68 2cr9 s LEU 62 CO 0.01 -0.20 0.04 -1.10 -1.32 0.00 0.00 176.35 173.78 2cr9 s GLN 63 N 1.61 0.36 -0.50 1.98 -0.21 -1.01 -1.82 119.66 120.07 2cr9 s GLN 63 Ca -0.00 0.05 -0.21 0.00 0.02 0.00 0.00 55.36 55.22 2cr9 s GLN 63 Cb -0.16 -1.21 0.05 0.00 1.00 0.00 0.00 33.01 32.69 2cr9 s GLN 63 CO -0.08 -0.43 0.70 -1.17 -2.12 0.00 0.00 175.29 172.19 2cr9 s LEU 64 N 2.03 4.67 0.34 2.90 2.96 -0.88 -2.37 118.68 128.33 2cr9 s LEU 64 Ca 0.03 -0.66 -0.13 0.00 -0.22 0.00 0.00 54.13 53.15 2cr9 s LEU 64 Cb -0.14 -2.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.88 2cr9 s LEU 64 CO -0.06 -0.94 0.73 -0.76 -1.32 0.00 0.00 176.35 174.00 2cr9 s LEU 65 N 2.96 4.00 -0.02 -0.68 1.43 -0.98 0.20 118.68 125.59 2cr9 s LEU 65 Ca 0.20 1.21 -0.03 0.00 -1.03 0.00 0.00 54.13 54.48 2cr9 s LEU 65 Cb -0.17 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.03 2cr9 s LEU 65 CO 0.15 -0.25 0.07 -0.70 0.23 0.00 0.00 176.35 175.85 2cr9 s GLU 66 N -3.23 0.20 0.53 1.70 2.12 0.35 -1.38 118.70 118.98 2cr9 s GLU 66 Ca 0.53 -0.09 -0.22 0.00 0.36 0.00 0.00 54.97 55.54 2cr9 s GLU 66 Cb -0.10 0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.32 2cr9 s GLU 66 CO 0.22 -0.04 1.38 0.34 -0.54 0.00 0.00 175.26 176.63 2cr9 s ASP 67 N -0.45 5.35 0.55 -1.70 -1.08 -0.12 -0.03 116.67 119.19 2cr9 s ASP 67 Ca -0.05 2.82 0.29 0.00 -0.52 0.00 0.00 52.55 55.10 2cr9 s ASP 67 Cb -0.03 -2.64 1.58 0.00 -1.46 0.00 0.00 42.92 40.36 2cr9 s ASP 67 CO 0.00 -1.52 2.12 -0.78 0.52 0.00 0.00 175.17 175.51 2cr9 h ASP 68 N 1.61 0.00 -0.52 -0.34 1.82 -1.86 0.20 116.42 117.33 2cr9 h ASP 68 Ca -0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2cr9 h ASP 68 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 2cr9 h ASP 68 CO 0.58 0.09 0.00 0.29 -1.61 0.00 0.00 179.24 178.58 2cr9 n LYS 69 N -3.59 2.30 -3.08 0.28 5.02 -1.26 -5.00 118.16 112.83 2cr9 n LYS 69 Ca -0.02 -2.02 -0.00 0.00 -2.02 0.00 0.00 58.31 54.25 2cr9 n LYS 69 Cb 0.21 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 1.15 -1.02 0.00 1.97 1.02 0.71 -4.90 120.64 119.57 2cr9 n GLU 70 Ca 0.19 1.24 0.00 0.00 -0.02 0.00 0.00 57.16 58.57 2cr9 n GLU 70 Cb 0.49 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2cr9 n GLU 70 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2cr9 n ASN 71 N 1.23 0.00 -4.26 1.62 6.94 -1.26 -5.00 115.26 114.53 2cr9 n ASN 71 Ca -0.01 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.21 2cr9 n ASN 71 Cb 0.38 0.32 -0.15 0.00 -2.36 0.00 0.00 39.78 37.97 2cr9 n ASN 71 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2cr9 s ARG 72 N -1.98 3.26 0.34 -3.83 3.52 -1.26 -4.83 118.95 114.17 2cr9 s ARG 72 Ca 0.00 -0.69 0.07 0.00 -0.13 0.00 0.00 55.73 54.98 2cr9 s ARG 72 Cb 0.00 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 2cr9 s ARG 72 CO 0.00 -0.16 0.29 0.71 -0.81 0.00 0.00 175.30 175.33 2cr9 s TYR 73 N 1.31 2.88 0.09 5.12 1.51 -1.26 -0.95 117.35 126.06 2cr9 s TYR 73 Ca 0.04 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2cr9 s TYR 73 Cb -0.14 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 2cr9 s TYR 73 CO -0.05 0.18 -0.07 -1.58 -1.11 0.00 0.00 175.55 172.92 2cr9 s TRP 74 N -2.32 0.85 -0.38 2.71 0.51 -0.48 0.09 118.94 119.91 2cr9 s TRP 74 Ca 0.41 -0.87 0.04 0.00 -2.12 0.00 0.00 56.10 53.56 2cr9 s TRP 74 Cb -0.05 -0.50 0.11 0.00 -0.81 0.00 0.00 33.47 32.22 2cr9 s TRP 74 CO 0.26 -0.15 0.11 0.42 -0.51 0.00 0.00 176.95 177.08 2cr9 s ILE 75 N -3.36 2.28 -0.45 2.03 -1.09 0.33 -2.33 121.20 118.60 2cr9 s ILE 75 Ca 0.09 -2.55 -0.21 0.00 -2.23 0.00 0.00 60.65 55.75 2cr9 s ILE 75 Cb 0.04 -2.66 0.03 0.00 -1.58 0.00 0.00 42.46 38.28 2cr9 s ILE 75 CO -0.04 -0.66 0.68 0.12 -1.23 0.00 0.00 174.94 173.81 2cr9 s PHE 76 N 0.64 3.03 -0.11 3.97 5.36 -1.00 -2.97 117.98 126.91 2cr9 s PHE 76 Ca 0.12 -0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.06 2cr9 s PHE 76 Cb -0.21 -3.47 0.01 0.00 -0.34 0.00 0.00 43.02 39.01 2cr9 s PHE 76 CO -0.07 -0.94 -0.21 1.03 -1.46 0.00 0.00 175.22 173.57 2cr9 s ARG 77 N 2.95 2.83 0.00 10.12 0.52 -0.15 -2.41 118.95 132.81 2cr9 s ARG 77 Ca 0.23 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.70 2cr9 s ARG 77 Cb -0.14 -2.21 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 2cr9 s ARG 77 CO 0.19 0.09 -0.17 0.45 0.02 0.00 0.00 175.30 175.88 2cr9 s SER 78 N 0.56 1.98 0.00 0.23 0.15 -1.02 0.76 113.70 116.35 2cr9 s SER 78 Ca -0.14 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2cr9 s SER 78 Cb -0.17 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2cr9 s SER 78 CO 0.05 0.17 0.00 -2.67 1.20 0.00 0.00 173.24 171.99 2cr9 n TRP 79 N 2.43 0.00 0.00 3.44 2.14 -0.93 -1.13 117.44 123.39 2cr9 n TRP 79 Ca -0.15 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.42 2cr9 n TRP 79 Cb 0.54 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.04 2cr9 n TRP 79 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2cr9 n GLY 80 N 0.26 3.75 3.87 -1.67 0.00 -1.24 -3.63 105.19 106.54 2cr9 n GLY 80 Ca 0.00 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.87 0.89 -0.28 1.61 0.52 -1.26 -2.24 118.95 114.32 2cr9 s ARG 81 Ca 0.00 -0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 2cr9 s ARG 81 Cb 0.00 -1.85 0.06 0.00 0.52 0.00 0.00 34.95 33.68 2cr9 s ARG 81 CO 0.00 -2.29 -0.06 0.14 0.02 0.00 0.00 175.30 173.11 2cr9 s VAL 82 N -3.64 2.50 0.00 3.52 -7.23 -1.15 -4.50 120.40 109.90 2cr9 s VAL 82 Ca 0.69 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 2cr9 s VAL 82 Cb -0.08 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2cr9 s VAL 82 CO 0.52 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 2cr9 n GLY 83 N 4.50 1.16 0.00 2.32 0.00 -1.26 -4.52 105.19 107.39 2cr9 n GLY 83 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2cr9 n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cr9 n THR 84 N -1.49 0.00 0.38 2.61 -2.24 -1.26 -5.05 114.28 107.23 2cr9 n THR 84 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 2cr9 n THR 84 Cb 0.00 -0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 67.97 2cr9 n THR 84 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2cr9 n VAL 85 N -0.03 0.00 -0.68 2.28 0.24 -1.26 -4.99 118.33 113.89 2cr9 n VAL 85 Ca 0.00 -0.26 -0.32 0.00 -2.04 0.00 0.00 64.34 61.71 2cr9 n VAL 85 Cb 0.00 0.50 0.17 0.00 -1.47 0.00 0.00 33.84 33.04 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 -1.81 0.00 0.00 1.34 2.08 -1.26 -5.01 119.36 114.70 2cr9 n ILE 86 Ca -0.00 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.01 2cr9 n ILE 86 Cb 0.39 -0.61 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 2cr9 n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2cr9 n GLY 87 N 1.98 3.42 3.62 7.39 0.00 -1.26 -4.72 105.19 115.61 2cr9 n GLY 87 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.09 0.36 1.61 0.01 -1.24 -5.03 113.70 109.32 2cr9 s SER 88 Ca 0.00 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.33 2cr9 s SER 88 Cb 0.00 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 2cr9 s SER 88 CO 0.00 -0.13 0.15 -0.46 0.41 0.00 0.00 173.24 173.21 2cr9 n ASN 89 N 0.11 0.95 -3.74 2.44 6.94 -1.26 -2.18 115.26 118.51 2cr9 n ASN 89 Ca 0.01 -2.99 -0.13 0.00 -0.02 0.00 0.00 54.58 51.46 2cr9 n ASN 89 Cb 0.58 1.02 -0.11 0.00 -2.36 0.00 0.00 39.78 38.91 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 -3.40 0.40 -0.07 -3.83 2.20 0.23 -4.94 119.74 110.33 2cr9 s LYS 90 Ca 0.21 0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 56.35 2cr9 s LYS 90 Cb 0.01 0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2cr9 s LYS 90 CO 0.15 -0.07 0.00 -1.17 -0.36 0.00 0.00 175.35 173.90 2cr9 s LEU 91 N 0.43 0.58 0.00 5.43 2.96 -1.26 -0.98 118.68 125.84 2cr9 s LEU 91 Ca -0.02 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 2cr9 s LEU 91 Cb -0.04 -0.43 -0.00 0.00 0.50 0.00 0.00 46.19 46.22 2cr9 s LEU 91 CO -0.02 -0.19 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.20 2cr9 s GLU 92 N 1.97 0.05 0.06 1.98 2.02 -1.16 -4.94 118.70 118.68 2cr9 s GLU 92 Ca 0.05 -0.05 -0.24 0.00 0.02 0.00 0.00 54.97 54.74 2cr9 s GLU 92 Cb -0.12 -0.02 -0.06 0.00 0.10 0.00 0.00 34.13 34.03 2cr9 s GLU 92 CO -0.05 0.00 0.74 1.14 0.02 0.00 0.00 175.26 177.11 2cr9 s GLN 93 N -0.11 4.48 0.20 1.61 -2.07 -1.26 0.12 119.66 122.63 2cr9 s GLN 93 Ca -0.01 1.03 -0.05 0.00 -1.82 0.00 0.00 55.36 54.51 2cr9 s GLN 93 Cb -0.01 -3.34 -0.05 0.00 -1.09 0.00 0.00 33.01 28.52 2cr9 s GLN 93 CO -0.00 0.36 0.45 -1.64 -1.32 0.00 0.00 175.29 173.14 2cr9 s MET 94 N -0.32 3.63 -0.07 9.60 -1.94 0.11 -4.93 119.30 125.38 2cr9 s MET 94 Ca 0.37 -0.07 -0.19 0.00 -1.71 0.00 0.00 55.69 54.09 2cr9 s MET 94 Cb -0.21 -2.77 -0.15 0.00 2.01 0.00 0.00 34.83 33.72 2cr9 s MET 94 CO 0.23 0.37 0.72 -1.00 -0.01 0.00 0.00 175.02 175.32 2cr9 h PRO 95 N 2.32 -0.16 -6.08 2.03 0.13 -1.94 -3.35 132.00 124.96 2cr9 h PRO 95 Ca -0.47 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 2cr9 h PRO 95 Cb 1.18 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2cr9 h PRO 95 CO 0.70 0.29 -0.56 0.45 -0.23 0.00 0.00 178.00 178.64 2cr9 s SER 96 N -5.58 4.56 0.15 1.44 0.15 -1.26 -4.90 113.70 108.27 2cr9 s SER 96 Ca -0.12 -0.82 -0.11 0.00 0.70 0.00 0.00 55.95 55.60 2cr9 s SER 96 Cb -0.00 -0.69 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2cr9 s SER 96 CO 0.43 -0.27 1.58 0.50 1.20 0.00 0.00 173.24 176.67 2cr9 h LYS 97 N 1.62 0.94 0.27 5.44 3.64 -1.91 -2.71 116.57 123.87 2cr9 h LYS 97 Ca -0.43 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 58.58 2cr9 h LYS 97 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2cr9 h LYS 97 CO 0.64 1.01 -0.13 0.93 -2.27 0.00 0.00 179.45 179.63 2cr9 h GLU 98 N 0.80 -0.35 -0.78 1.90 5.08 -1.98 -0.99 114.58 118.25 2cr9 h GLU 98 Ca 0.13 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.74 2cr9 h GLU 98 Cb 0.65 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2cr9 h GLU 98 CO 0.04 -0.05 0.80 -0.44 -1.00 0.00 0.00 179.01 178.36 2cr9 h ASP 99 N -0.68 0.00 0.33 1.42 5.19 -1.96 2.02 116.42 122.74 2cr9 h ASP 99 Ca -0.04 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.04 2cr9 h ASP 99 Cb 0.47 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.99 2cr9 h ASP 99 CO 0.06 0.00 -1.57 0.00 -3.12 0.00 0.00 179.24 174.61 2cr9 h ALA 100 N 1.15 0.10 -0.06 3.45 0.00 -1.11 -2.79 119.26 120.00 2cr9 h ALA 100 Ca 0.37 -1.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 2cr9 h ALA 100 Cb 1.96 0.29 0.00 0.00 0.00 0.00 0.00 17.79 20.04 2cr9 h ALA 100 CO -0.00 0.97 -0.27 0.82 0.00 0.00 0.00 179.25 180.76 2cr9 h ILE 101 N 0.10 1.44 -0.76 0.00 2.04 0.35 -1.97 117.51 118.72 2cr9 h ILE 101 Ca -0.27 -1.72 0.06 0.00 1.00 0.00 0.00 64.86 63.93 2cr9 h ILE 101 Cb 2.08 2.39 -0.06 0.00 -0.74 0.00 0.00 36.82 40.49 2cr9 h ILE 101 CO 0.20 0.49 0.45 -0.33 0.00 0.00 0.00 178.15 178.95 2cr9 h GLU 102 N -0.24 0.79 -0.71 2.37 5.08 0.23 1.93 114.58 124.03 2cr9 h GLU 102 Ca -0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2cr9 h GLU 102 Cb 0.93 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2cr9 h GLU 102 CO 0.06 0.52 0.16 1.25 -1.00 0.00 0.00 179.01 180.00 2cr9 h HIS 103 N 0.82 1.20 0.00 4.33 2.76 -1.50 0.91 115.15 123.66 2cr9 h HIS 103 Ca 0.34 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 2cr9 h HIS 103 Cb 0.19 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 2cr9 h HIS 103 CO -0.06 0.97 -0.12 0.35 -1.30 0.00 0.00 177.93 177.77 2cr9 h PHE 104 N 1.08 0.00 0.16 5.26 3.04 -0.40 -1.14 116.94 124.93 2cr9 h PHE 104 Ca 0.22 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.85 2cr9 h PHE 104 Cb 0.39 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.90 2cr9 h PHE 104 CO 0.03 0.12 -1.64 0.52 -2.02 0.00 0.00 178.31 175.33 2cr9 h MET 105 N 0.00 0.33 -0.08 1.11 2.86 0.36 -3.19 114.93 116.32 2cr9 h MET 105 Ca -0.00 -0.56 -0.11 0.00 -2.06 0.00 0.00 59.70 56.97 2cr9 h MET 105 Cb 1.06 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.93 2cr9 h MET 105 CO 0.02 1.27 -0.39 -0.22 1.06 0.00 0.00 176.91 178.65 2cr9 h LYS 106 N -0.06 0.41 -0.20 1.72 3.64 0.77 -2.82 116.57 120.03 2cr9 h LYS 106 Ca -0.33 -0.33 0.05 0.00 -1.27 0.00 0.00 60.65 58.77 2cr9 h LYS 106 Cb 1.96 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.78 2cr9 h LYS 106 CO 0.12 0.96 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.87 2cr9 h LEU 107 N -0.05 -1.03 0.00 5.20 3.38 -1.37 0.92 115.31 122.36 2cr9 h LEU 107 Ca -0.02 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2cr9 h LEU 107 Cb 1.03 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2cr9 h LEU 107 CO 0.08 -0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.26 2cr9 n TYR 108 N -5.41 0.00 0.00 1.13 9.36 -1.20 -0.81 117.16 120.23 2cr9 n TYR 108 Ca -0.02 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.28 2cr9 n TYR 108 Cb 0.33 -0.45 -0.13 0.00 -0.63 0.00 0.00 39.34 38.46 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 -1.45 0.65 -0.00 2.98 2.13 0.27 -3.53 120.64 121.69 2cr9 n GLU 109 Ca 0.02 -0.10 -0.13 0.00 0.66 0.00 0.00 57.16 57.62 2cr9 n GLU 109 Cb 0.07 -1.59 -0.14 0.00 0.27 0.00 0.00 31.44 30.05 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 0.09 0.33 5.31 4.11 0.19 -0.96 114.58 123.67 2cr9 h GLU 110 Ca -0.08 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 2cr9 h GLU 110 Cb 1.18 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2cr9 h GLU 110 CO 0.01 0.76 -0.16 0.87 0.07 0.00 0.00 179.01 180.56 2cr9 h LYS 111 N 0.03 -0.43 -0.07 1.06 1.79 -1.30 -3.34 116.57 114.30 2cr9 h LYS 111 Ca -0.31 0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 57.98 2cr9 h LYS 111 Cb 2.01 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.76 2cr9 h LYS 111 CO 0.09 -0.29 -0.82 1.79 -1.08 0.00 0.00 179.45 179.14 2cr9 h THR 112 N -0.85 1.35 0.00 -0.16 1.35 -1.61 -2.88 112.91 110.11 2cr9 h THR 112 Ca -0.05 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 2cr9 h THR 112 Cb 0.34 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2cr9 h THR 112 CO 0.08 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 2cr9 n GLY 113 N 0.74 2.40 3.80 5.82 0.00 -0.37 -4.47 105.19 113.11 2cr9 n GLY 113 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.39 5.77 0.79 1.61 0.01 -1.21 -4.83 114.94 115.69 2cr9 s ASN 114 Ca 0.00 0.18 -0.14 0.00 -0.71 0.00 0.00 52.86 52.19 2cr9 s ASN 114 Cb 0.00 -1.68 0.06 0.00 0.41 0.00 0.00 41.25 40.04 2cr9 s ASN 114 CO 0.00 0.28 1.16 0.00 -1.51 0.00 0.00 177.10 177.03 2cr9 n ALA 115 N 1.19 -0.03 -0.20 0.60 0.00 -1.26 -3.94 120.51 116.87 2cr9 n ALA 115 Ca -0.13 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.02 2cr9 n ALA 115 Cb 0.53 -2.23 0.11 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.73 0.13 -2.90 0.00 2.91 -1.85 -3.24 115.95 110.27 2cr9 h TRP 116 Ca -0.47 0.04 -0.61 0.00 1.13 0.00 0.00 58.89 58.98 2cr9 h TRP 116 Cb 1.31 0.03 -0.40 0.00 -0.51 0.00 0.00 29.16 29.59 2cr9 h TRP 116 CO 0.45 -0.07 -0.74 -1.01 -1.03 0.00 0.00 178.44 176.03 2cr9 s HIS 117 N -6.12 2.25 -0.41 2.65 3.76 -1.26 -4.94 115.29 111.22 2cr9 s HIS 117 Ca -0.13 -2.67 0.08 0.00 -0.15 0.00 0.00 55.06 52.19 2cr9 s HIS 117 Cb 0.18 -1.94 0.43 0.00 1.11 0.00 0.00 32.58 32.37 2cr9 s HIS 117 CO 0.74 -0.73 1.08 -1.13 -0.85 0.00 0.00 174.74 173.85 2cr9 n SER 118 N 2.99 4.06 -2.89 1.40 3.41 -1.23 -5.01 113.62 116.35 2cr9 n SER 118 Ca 0.16 -3.51 -0.02 0.00 -0.26 0.00 0.00 58.87 55.24 2cr9 n SER 118 Cb 0.37 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 2cr9 n SER 118 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cr9 n LYS 119 N -0.41 -2.51 -1.47 4.33 5.02 -1.26 -4.76 118.16 117.10 2cr9 n LYS 119 Ca 0.33 2.11 0.19 0.00 -2.02 0.00 0.00 58.31 58.92 2cr9 n LYS 119 Cb 0.70 -2.94 -0.08 0.00 -0.02 0.00 0.00 35.03 32.69 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 1.75 -8.59 -4.55 4.39 3.02 -1.26 -4.93 115.26 105.08 2cr9 n ASN 120 Ca -0.13 1.18 -0.27 0.00 -0.03 0.00 0.00 54.58 55.32 2cr9 n ASN 120 Cb 0.30 -4.86 -0.10 0.00 -0.61 0.00 0.00 39.78 34.52 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 -3.60 2.61 -0.24 3.10 5.36 -1.26 -5.00 117.98 118.95 2cr9 s PHE 121 Ca 0.00 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 2cr9 s PHE 121 Cb 0.00 -1.29 0.03 0.00 -0.34 0.00 0.00 43.02 41.43 2cr9 s PHE 121 CO 0.00 0.50 -0.10 0.99 -1.46 0.00 0.00 175.22 175.15 2cr9 s THR 122 N -1.64 2.53 -0.29 0.12 2.01 -1.26 -5.01 115.64 112.09 2cr9 s THR 122 Ca 0.24 -1.18 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 2cr9 s THR 122 Cb -0.09 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 2cr9 s THR 122 CO 0.14 0.20 1.61 -0.75 -0.69 0.00 0.00 174.62 175.13 2cr9 s LYS 123 N 1.26 3.63 0.33 4.92 2.36 -1.26 -4.89 119.74 126.10 2cr9 s LYS 123 Ca -0.01 1.43 0.08 0.00 -2.55 0.00 0.00 55.97 54.92 2cr9 s LYS 123 Cb -0.17 -4.07 -0.04 0.00 -1.05 0.00 0.00 37.83 32.50 2cr9 s LYS 123 CO -0.06 -1.49 0.12 0.71 1.55 0.00 0.00 175.35 176.18 2cr9 s TYR 124 N 5.66 2.70 -0.08 4.03 2.02 -1.26 -5.06 117.35 125.36 2cr9 s TYR 124 Ca 0.71 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.74 2cr9 s TYR 124 Cb -0.21 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 2cr9 s TYR 124 CO 0.31 0.37 1.23 -1.25 -1.57 0.00 0.00 175.55 174.64 2cr9 s PRO 125 N -3.83 4.32 0.00 -1.71 0.04 -1.26 -2.28 135.00 130.29 2cr9 s PRO 125 Ca 0.37 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2cr9 s PRO 125 Cb -0.03 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2cr9 s PRO 125 CO 0.22 -0.52 0.00 1.63 0.04 0.00 0.00 177.00 178.38 2cr9 n LYS 126 N 5.53 0.00 -3.14 4.56 5.02 -1.26 -4.98 118.16 123.89 2cr9 n LYS 126 Ca 0.12 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.02 2cr9 n LYS 126 Cb 0.46 -2.57 -0.05 0.00 -0.02 0.00 0.00 35.03 32.85 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 -0.06 4.36 -0.05 1.97 -0.14 -0.96 -4.97 119.74 119.89 2cr9 s LYS 127 Ca 0.00 0.70 -0.30 0.00 -1.36 0.00 0.00 55.97 55.01 2cr9 s LYS 127 Cb 0.00 -3.47 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 2cr9 s LYS 127 CO 0.00 0.03 1.31 -0.06 -0.76 0.00 0.00 175.35 175.87 2cr9 s PHE 128 N 0.99 2.94 0.32 3.18 0.08 -1.09 -4.61 117.98 119.79 2cr9 s PHE 128 Ca 0.32 0.97 0.08 0.00 0.12 0.00 0.00 56.93 58.43 2cr9 s PHE 128 Cb -0.16 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.69 2cr9 s PHE 128 CO 0.14 -1.95 0.17 1.52 -0.10 0.00 0.00 175.22 175.00 2cr9 s TYR 129 N 2.59 2.79 -0.19 0.36 -0.85 -1.23 -3.58 117.35 117.23 2cr9 s TYR 129 Ca 0.60 -0.32 -0.29 0.00 -0.52 0.00 0.00 57.07 56.53 2cr9 s TYR 129 Cb -0.27 -1.62 -0.01 0.00 0.38 0.00 0.00 41.96 40.44 2cr9 s TYR 129 CO 0.23 0.34 1.29 -1.25 -1.52 0.00 0.00 175.55 174.64 2cr9 s PRO 130 N -3.87 4.16 0.00 -3.49 0.04 -1.26 -0.11 135.00 130.47 2cr9 s PRO 130 Ca 0.38 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2cr9 s PRO 130 Cb -0.04 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2cr9 s PRO 130 CO 0.24 -0.81 0.00 1.28 0.04 0.00 0.00 177.00 177.75 2cr9 n LEU 131 N 6.87 0.00 -3.43 -3.56 4.77 0.71 -4.59 117.00 117.77 2cr9 n LEU 131 Ca 0.14 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 2cr9 n LEU 131 Cb 0.45 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2cr9 n LEU 131 CO 0.58 -0.72 0.05 -0.62 -1.33 0.00 0.00 177.39 175.35 2cr9 n GLU 132 N -0.88 -1.44 -4.29 3.23 -0.58 -1.26 -4.95 120.64 110.48 2cr9 n GLU 132 Ca 0.00 0.95 -0.16 0.00 -0.42 0.00 0.00 57.16 57.54 2cr9 n GLU 132 Cb 0.00 -4.49 -0.10 0.00 -0.57 0.00 0.00 31.44 26.27 2cr9 n GLU 132 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2cr9 s ILE 133 N -3.18 0.97 -0.35 -3.67 1.01 -1.26 -5.13 121.20 109.60 2cr9 s ILE 133 Ca 0.19 -2.03 0.02 0.00 0.00 0.00 0.00 60.65 58.84 2cr9 s ILE 133 Cb -0.06 -2.18 0.15 0.00 0.01 0.00 0.00 42.46 40.38 2cr9 s ILE 133 CO 0.82 -0.45 0.36 -0.55 0.00 0.00 0.00 174.94 175.11 2cr9 s SER 134 N -3.24 1.26 0.00 3.58 0.15 -1.26 -5.09 113.70 109.10 2cr9 s SER 134 Ca 0.25 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.54 2cr9 s SER 134 Cb 0.05 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2cr9 s SER 134 CO 0.06 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2cr9 n GLY 135 N 4.52 -1.19 3.80 9.45 0.00 -1.26 -5.04 105.19 115.47 2cr9 n GLY 135 Ca 0.08 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 2cr9 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr9 s PRO 136 N -4.86 1.88 0.00 1.61 0.04 -1.26 -5.08 135.00 127.33 2cr9 s PRO 136 Ca 0.00 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2cr9 s PRO 136 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2cr9 s PRO 136 CO 0.00 -1.75 0.00 0.45 0.04 0.00 0.00 177.00 175.74 2cr9 n SER 137 N -3.51 0.00 -3.15 6.66 2.88 -1.26 -5.14 113.62 110.10 2cr9 n SER 137 Ca 0.07 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.66 2cr9 n SER 137 Cb 0.57 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2cr9 n SER 137 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cr9 s SER 138 N 0.00 -0.91 0.00 -3.46 0.01 -1.26 -5.00 113.70 103.08 2cr9 s SER 138 Ca 0.00 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2cr9 s SER 138 Cb 0.00 1.60 0.00 0.00 0.21 0.00 0.00 66.02 67.83 2cr9 s SER 138 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09