#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 -0.20 -0.19 1.61 1.04 -1.26 -5.19 113.70 109.52 2cr9 s SER 2 Ca 0.00 0.00 -0.36 0.00 0.48 0.00 0.00 55.95 56.08 2cr9 s SER 2 Cb 0.00 0.21 0.15 0.00 0.10 0.00 0.00 66.02 66.48 2cr9 s SER 2 CO 0.00 -0.33 1.38 -0.44 0.98 0.00 0.00 173.24 174.83 2cr9 s SER 3 N -2.24 -0.03 0.00 7.02 0.01 -1.26 -5.19 113.70 112.01 2cr9 s SER 3 Ca 0.08 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2cr9 s SER 3 Cb -0.01 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2cr9 s SER 3 CO -0.06 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2cr9 n GLY 4 N -0.23 -1.58 3.32 3.44 0.00 -1.26 -5.18 105.19 103.69 2cr9 n GLY 4 Ca -0.02 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 2cr9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr9 s SER 5 N -0.73 0.06 -0.11 1.61 0.15 -1.26 -5.18 113.70 108.25 2cr9 s SER 5 Ca 0.00 -0.85 -0.30 0.00 0.70 0.00 0.00 55.95 55.50 2cr9 s SER 5 Cb 0.00 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.81 2cr9 s SER 5 CO 0.00 -0.87 0.71 -0.94 1.20 0.00 0.00 173.24 173.34 2cr9 s SER 6 N -2.96 -0.66 0.40 5.45 1.04 -1.26 -5.18 113.70 110.53 2cr9 s SER 6 Ca 0.16 0.86 0.03 0.00 0.48 0.00 0.00 55.95 57.49 2cr9 s SER 6 Cb 0.04 0.74 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 2cr9 s SER 6 CO -0.01 -0.51 0.09 -0.83 0.98 0.00 0.00 173.24 172.96 2cr9 s GLY 7 N -0.81 2.53 -0.39 7.32 0.00 -1.26 -5.13 107.32 109.58 2cr9 s GLY 7 Ca -0.08 -1.35 0.05 0.00 0.00 0.00 0.00 44.72 43.34 2cr9 s GLY 7 CO 0.07 -1.89 0.47 1.25 0.00 0.00 0.00 173.10 173.01 2cr9 s LYS 8 N -3.78 0.73 0.12 2.90 2.20 -1.26 -5.13 119.74 115.52 2cr9 s LYS 8 Ca 0.25 -0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 54.79 2cr9 s LYS 8 Cb 0.04 -0.47 -0.07 0.00 -1.51 0.00 0.00 37.83 35.82 2cr9 s LYS 8 CO 0.13 -1.21 1.29 0.45 -0.36 0.00 0.00 175.35 175.65 2cr9 s SER 9 N 1.45 6.96 0.08 1.43 0.15 -1.26 -4.98 113.70 117.52 2cr9 s SER 9 Ca 0.18 2.22 -0.27 0.00 0.70 0.00 0.00 55.95 58.78 2cr9 s SER 9 Cb -0.10 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.70 2cr9 s SER 9 CO -0.04 -0.53 1.09 -1.83 1.20 0.00 0.00 173.24 173.12 2cr9 s GLU 10 N 0.73 0.87 -0.44 5.44 -1.05 -1.26 -5.11 118.70 117.88 2cr9 s GLU 10 Ca 0.60 -0.48 0.03 0.00 -0.15 0.00 0.00 54.97 54.97 2cr9 s GLU 10 Cb -0.34 0.30 0.24 0.00 -0.44 0.00 0.00 34.13 33.89 2cr9 s GLU 10 CO 0.32 -0.40 0.97 1.17 0.95 0.00 0.00 175.26 178.27 2cr9 n LYS 11 N -0.47 0.51 -3.69 -4.83 4.81 -1.26 -5.14 118.16 108.09 2cr9 n LYS 11 Ca -0.07 -1.43 -0.11 0.00 -0.87 0.00 0.00 58.31 55.83 2cr9 n LYS 11 Cb 0.62 -1.01 -0.10 0.00 0.02 0.00 0.00 35.03 34.56 2cr9 n LYS 11 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2cr9 s ARG 12 N 0.60 0.52 -0.36 1.64 3.00 -1.26 -5.12 118.95 117.97 2cr9 s ARG 12 Ca 0.29 0.82 0.02 0.00 -1.00 0.00 0.00 55.73 55.86 2cr9 s ARG 12 Cb 0.18 0.13 0.15 0.00 0.00 0.00 0.00 34.95 35.41 2cr9 s ARG 12 CO -0.16 -0.12 0.31 -1.64 0.00 0.00 0.00 175.30 173.69 2cr9 s MET 13 N 0.96 0.58 -0.02 5.12 -1.94 -1.26 -5.00 119.30 117.75 2cr9 s MET 13 Ca -0.06 -0.96 -0.05 0.00 -1.71 0.00 0.00 55.69 52.91 2cr9 s MET 13 Cb -0.06 -0.91 -0.02 0.00 2.01 0.00 0.00 34.83 35.86 2cr9 s MET 13 CO -0.08 -1.19 -0.09 1.63 -0.01 0.00 0.00 175.02 175.28 2cr9 n LYS 14 N 4.26 0.14 -3.57 2.03 4.76 -1.26 -5.06 118.16 119.46 2cr9 n LYS 14 Ca 0.10 0.05 -0.01 0.00 -2.87 0.00 0.00 58.31 55.59 2cr9 n LYS 14 Cb 0.43 -0.62 -0.04 0.00 -1.84 0.00 0.00 35.03 32.95 2cr9 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cr9 s LEU 15 N -6.29 -1.13 0.06 -0.35 1.02 -1.26 -5.16 118.68 105.56 2cr9 s LEU 15 Ca -0.08 1.39 -0.27 0.00 0.02 0.00 0.00 54.13 55.19 2cr9 s LEU 15 Cb 0.01 2.17 0.09 0.00 0.02 0.00 0.00 46.19 48.48 2cr9 s LEU 15 CO 0.11 -0.23 0.92 0.28 0.02 0.00 0.00 176.35 177.45 2cr9 s THR 16 N 2.86 0.00 0.10 5.49 -1.32 -1.26 -5.06 115.64 116.45 2cr9 s THR 16 Ca -0.01 -0.27 -0.32 0.00 -1.21 0.00 0.00 61.69 59.88 2cr9 s THR 16 Cb -0.13 -1.41 -0.13 0.00 -1.51 0.00 0.00 72.50 69.32 2cr9 s THR 16 CO -0.19 0.00 1.52 -0.07 -2.21 0.00 0.00 174.62 173.68 2cr9 h LEU 17 N 2.00 -1.57-10.10 9.08 -0.00 -2.05 -3.41 115.31 109.26 2cr9 h LEU 17 Ca -0.23 0.17 -0.54 0.00 -0.00 0.00 0.00 57.88 57.28 2cr9 h LEU 17 Cb 1.24 0.59 0.18 0.00 -0.00 0.00 0.00 40.66 42.67 2cr9 h LEU 17 CO 0.29 -0.50 0.22 0.29 -0.00 0.00 0.00 178.44 178.73 2cr9 n LYS 18 N -5.29 0.28 0.00 1.13 4.01 -1.26 -4.92 118.16 112.10 2cr9 n LYS 18 Ca -0.07 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 2cr9 n LYS 18 Cb 0.38 -2.34 0.00 0.00 -0.51 0.00 0.00 35.03 32.55 2cr9 n LYS 18 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2cr9 n GLY 19 N 0.78 0.46 1.77 0.72 0.00 -1.26 -5.02 105.19 102.63 2cr9 n GLY 19 Ca 0.13 0.47 0.08 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.00 3.94 -0.02 0.00 -1.26 -4.90 105.19 100.95 2cr9 n GLY 20 Ca 0.00 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 2cr9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr9 s ALA 21 N -1.57 3.65 -0.08 4.61 0.00 -1.26 -5.07 121.76 122.04 2cr9 s ALA 21 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 2cr9 s ALA 21 Cb 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.82 2cr9 s ALA 21 CO 0.00 -0.47 0.37 0.00 0.00 0.00 0.00 175.76 175.67 2cr9 s ALA 22 N -2.66 3.63 0.33 0.00 0.00 -1.26 -4.14 121.76 117.65 2cr9 s ALA 22 Ca 0.50 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 2cr9 s ALA 22 Cb -0.10 -2.42 -0.08 0.00 0.00 0.00 0.00 23.12 20.51 2cr9 s ALA 22 CO 0.40 0.27 0.73 0.08 0.00 0.00 0.00 175.76 177.23 2cr9 s VAL 23 N -0.24 4.71 0.33 0.00 1.01 -1.26 -4.87 120.40 120.09 2cr9 s VAL 23 Ca 0.22 0.87 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 2cr9 s VAL 23 Cb -0.15 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 2cr9 s VAL 23 CO 0.09 -0.23 0.85 1.51 0.00 0.00 0.00 175.10 177.32 2cr9 s ASP 24 N -2.41 7.03 0.31 3.32 -4.77 -1.26 -4.75 116.67 114.14 2cr9 s ASP 24 Ca 0.53 1.57 0.26 0.00 -3.30 0.00 0.00 52.55 51.61 2cr9 s ASP 24 Cb -0.10 -2.48 0.89 0.00 -1.09 0.00 0.00 42.92 40.14 2cr9 s ASP 24 CO 0.20 -0.16 1.76 1.55 0.70 0.00 0.00 175.17 179.22 2cr9 h PRO 25 N 2.65 0.00 0.00 2.11 0.13 -1.96 -2.84 132.00 132.10 2cr9 h PRO 25 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2cr9 h PRO 25 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2cr9 h PRO 25 CO 0.64 0.00 -0.26 -0.44 -0.23 0.00 0.00 178.00 177.71 2cr9 h ASP 26 N 0.00 0.00 0.84 1.44 3.32 -2.02 -2.13 116.42 117.87 2cr9 h ASP 26 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2cr9 h ASP 26 Cb 0.61 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 2cr9 h ASP 26 CO 0.00 0.26 -0.87 0.77 -1.72 0.00 0.00 179.24 177.67 2cr9 h SER 27 N 0.00 0.03 0.00 6.45 4.64 -1.91 -3.47 113.55 119.29 2cr9 h SER 27 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2cr9 h SER 27 Cb 0.59 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2cr9 h SER 27 CO 0.03 0.89 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 2cr9 n GLY 28 N 0.97 3.08 1.37 -0.77 0.00 -0.80 -4.81 105.19 104.23 2cr9 n GLY 28 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 3.97 0.24 0.99 7.99 -1.26 -4.19 117.00 124.74 2cr9 n LEU 29 Ca 0.00 -2.03 0.08 0.00 -0.01 0.00 0.00 56.01 54.05 2cr9 n LEU 29 Cb 0.00 -0.62 0.59 0.00 -0.11 0.00 0.00 43.42 43.28 2cr9 n LEU 29 CO 0.00 0.52 0.95 1.05 -1.51 0.00 0.00 177.39 178.40 2cr9 h GLU 30 N 2.03 0.00 -0.03 3.23 4.11 -1.74 0.83 114.58 123.00 2cr9 h GLU 30 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2cr9 h GLU 30 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 2cr9 h GLU 30 CO 0.34 0.14 0.00 -2.39 0.07 0.00 0.00 179.01 177.17 2cr9 n HIS 31 N -4.18 0.04 0.02 2.06 1.44 -1.26 -4.68 115.22 108.66 2cr9 n HIS 31 Ca -0.02 -0.51 -0.01 0.00 -2.01 0.00 0.00 57.72 55.16 2cr9 n HIS 31 Cb 0.22 -0.05 -0.00 0.00 0.12 0.00 0.00 29.99 30.27 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 -0.43 0.70 -4.77 4.39 2.88 -0.83 -5.08 113.62 110.48 2cr9 n SER 32 Ca 0.01 0.09 -0.22 0.00 -1.33 0.00 0.00 58.87 57.42 2cr9 n SER 32 Cb 0.28 -0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.04 3.47 0.23 -1.46 0.00 0.28 -4.17 121.76 118.07 2cr9 s ALA 33 Ca -0.02 -1.53 0.09 0.00 0.00 0.00 0.00 51.96 50.50 2cr9 s ALA 33 Cb 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 2cr9 s ALA 33 CO 0.02 0.22 -0.17 -3.38 0.00 0.00 0.00 175.76 172.46 2cr9 s HIS 34 N -2.22 1.94 -0.23 0.00 -3.43 -0.11 -4.28 115.29 106.95 2cr9 s HIS 34 Ca 0.33 -0.47 -0.36 0.00 -0.80 0.00 0.00 55.06 53.76 2cr9 s HIS 34 Cb -0.07 -0.88 -0.12 0.00 -1.43 0.00 0.00 32.58 30.08 2cr9 s HIS 34 CO 0.23 0.49 1.98 0.28 -2.00 0.00 0.00 174.74 175.72 2cr9 n VAL 35 N -0.41 0.37 -1.70 -5.38 0.31 -1.26 -0.30 118.33 109.97 2cr9 n VAL 35 Ca -0.07 -0.17 -0.58 0.00 -0.01 0.00 0.00 64.34 63.51 2cr9 n VAL 35 Cb 0.60 -1.69 -0.07 0.00 -0.91 0.00 0.00 33.84 31.77 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 7.74 2.10 -4.34 7.52 0.00 0.88 -4.71 117.00 126.19 2cr9 n LEU 36 Ca 0.30 1.10 -0.32 0.00 0.00 0.00 0.00 56.01 57.09 2cr9 n LEU 36 Cb 0.24 -1.11 -0.15 0.00 0.00 0.00 0.00 43.42 42.40 2cr9 n LEU 36 CO 0.76 -0.58 -0.52 -1.61 0.00 0.00 0.00 177.39 175.44 2cr9 s GLU 37 N 3.09 2.64 0.03 1.96 2.02 -1.26 -0.95 118.70 126.24 2cr9 s GLU 37 Ca 0.98 -0.82 -0.16 0.00 0.02 0.00 0.00 54.97 54.99 2cr9 s GLU 37 Cb -1.12 -2.28 0.03 0.00 0.10 0.00 0.00 34.13 30.85 2cr9 s GLU 37 CO 0.66 0.43 0.36 0.21 0.02 0.00 0.00 175.26 176.94 2cr9 s LYS 38 N -0.26 0.84 -1.70 1.61 2.20 -0.89 -4.91 119.74 116.62 2cr9 s LYS 38 Ca 0.00 -0.36 -0.13 0.00 -0.36 0.00 0.00 55.97 55.13 2cr9 s LYS 38 Cb -0.13 0.37 0.12 0.00 -1.51 0.00 0.00 37.83 36.68 2cr9 s LYS 38 CO 0.03 -0.27 0.41 0.41 -0.36 0.00 0.00 175.35 175.57 2cr9 n GLY 39 N 0.70 -0.30 3.60 5.54 0.00 -1.26 0.17 105.19 113.65 2cr9 n GLY 39 Ca -0.19 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.72 -0.51 3.43 -0.02 0.00 -1.26 -4.96 105.19 100.15 2cr9 n GLY 40 Ca -0.08 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -6.29 1.73 -0.03 1.61 -0.14 0.46 -5.16 119.74 111.92 2cr9 s LYS 41 Ca 0.54 -2.01 0.04 0.00 -1.36 0.00 0.00 55.97 53.18 2cr9 s LYS 41 Cb -0.26 -0.48 -0.01 0.00 -1.68 0.00 0.00 37.83 35.40 2cr9 s LYS 41 CO 0.67 -0.40 -0.16 0.08 -0.76 0.00 0.00 175.35 174.79 2cr9 s VAL 42 N -3.39 1.28 -0.20 3.17 1.01 -1.26 -2.11 120.40 118.90 2cr9 s VAL 42 Ca 0.31 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 2cr9 s VAL 42 Cb 0.05 -1.09 -0.14 0.00 0.00 0.00 0.00 36.38 35.20 2cr9 s VAL 42 CO 0.16 0.37 3.29 0.49 0.00 0.00 0.00 175.10 179.40 2cr9 n PHE 43 N 2.99 0.65 -3.89 5.22 3.01 -0.12 -4.73 117.46 120.59 2cr9 n PHE 43 Ca -0.17 -1.70 -0.30 0.00 1.01 0.00 0.00 57.45 56.29 2cr9 n PHE 43 Cb 0.54 -1.53 -0.15 0.00 -0.01 0.00 0.00 39.48 38.33 2cr9 n PHE 43 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2cr9 s SER 44 N 1.37 4.36 -0.05 4.37 0.15 -1.26 -2.14 113.70 120.50 2cr9 s SER 44 Ca 0.64 -2.18 0.06 0.00 0.70 0.00 0.00 55.95 55.17 2cr9 s SER 44 Cb 0.34 -1.34 -0.01 0.00 -1.71 0.00 0.00 66.02 63.30 2cr9 s SER 44 CO -0.09 -0.36 -0.25 0.00 1.20 0.00 0.00 173.24 173.75 2cr9 s ALA 45 N 0.87 2.13 -0.41 5.45 0.00 -0.87 -5.04 121.76 123.90 2cr9 s ALA 45 Ca 0.12 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2cr9 s ALA 45 Cb -0.20 -0.66 0.11 0.00 0.00 0.00 0.00 23.12 22.37 2cr9 s ALA 45 CO -0.11 0.42 0.14 0.99 0.00 0.00 0.00 175.76 177.20 2cr9 s THR 46 N -0.18 2.59 0.60 0.00 2.01 -1.26 -1.83 115.64 117.56 2cr9 s THR 46 Ca -0.03 -2.56 -0.08 0.00 0.31 0.00 0.00 61.69 59.34 2cr9 s THR 46 Cb -0.13 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 2cr9 s THR 46 CO 0.03 -0.68 0.94 -0.76 -0.69 0.00 0.00 174.62 173.47 2cr9 s LEU 47 N 0.62 3.23 -0.26 4.42 1.43 0.10 -0.34 118.68 127.88 2cr9 s LEU 47 Ca 0.12 0.97 -0.26 0.00 -1.03 0.00 0.00 54.13 53.94 2cr9 s LEU 47 Cb -0.21 -3.85 0.10 0.00 0.03 0.00 0.00 46.19 42.26 2cr9 s LEU 47 CO -0.05 -1.00 0.92 -0.83 0.23 0.00 0.00 176.35 175.61 2cr9 s GLY 48 N -4.26 -0.30 -0.01 -3.19 0.00 0.19 -1.98 107.32 97.77 2cr9 s GLY 48 Ca 0.54 2.37 -0.03 0.00 0.00 0.00 0.00 44.72 47.59 2cr9 s GLY 48 CO 0.48 1.71 0.07 -2.27 0.00 0.00 0.00 173.10 173.09 2cr9 s LEU 49 N 0.12 1.80 -0.05 0.66 2.96 0.31 -2.74 118.68 121.74 2cr9 s LEU 49 Ca 0.01 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2cr9 s LEU 49 Cb -0.04 0.35 0.02 0.00 0.50 0.00 0.00 46.19 47.01 2cr9 s LEU 49 CO -0.03 -0.20 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.05 2cr9 s VAL 50 N -0.77 0.67 -0.38 1.68 1.01 -1.26 0.20 120.40 121.54 2cr9 s VAL 50 Ca -0.09 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 2cr9 s VAL 50 Cb -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.67 2cr9 s VAL 50 CO 0.00 0.25 0.68 -0.62 0.00 0.00 0.00 175.10 175.42 2cr9 s ASP 51 N 0.86 6.43 0.12 3.32 -1.08 0.12 -4.90 116.67 121.54 2cr9 s ASP 51 Ca -0.12 0.09 0.01 0.00 -0.52 0.00 0.00 52.55 52.01 2cr9 s ASP 51 Cb -0.15 -2.35 -0.16 0.00 -1.46 0.00 0.00 42.92 38.80 2cr9 s ASP 51 CO 0.01 -0.68 1.26 -0.29 0.52 0.00 0.00 175.17 175.99 2cr9 h ILE 52 N 5.75 1.55 0.06 4.11 2.10 -1.94 0.31 117.51 129.44 2cr9 h ILE 52 Ca -0.26 -2.97 -0.00 0.00 1.08 0.00 0.00 64.86 62.71 2cr9 h ILE 52 Cb 1.10 2.74 0.00 0.00 -1.09 0.00 0.00 36.82 39.57 2cr9 h ILE 52 CO 0.87 0.86 -0.03 -0.37 -1.08 0.00 0.00 178.15 178.40 2cr9 h VAL 53 N 0.07 1.02 0.00 2.19 -1.51 -1.95 -3.21 116.25 112.87 2cr9 h VAL 53 Ca -0.07 -1.53 0.00 0.00 -1.23 0.00 0.00 66.70 63.87 2cr9 h VAL 53 Cb 1.75 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.75 2cr9 h VAL 53 CO 0.16 0.31 0.00 0.29 -1.23 0.00 0.00 177.57 177.10 2cr9 n LYS 54 N -4.78 0.06 -3.89 5.19 4.76 -1.25 -4.88 118.16 113.37 2cr9 n LYS 54 Ca -0.07 0.12 -0.30 0.00 -2.87 0.00 0.00 58.31 55.20 2cr9 n LYS 54 Cb 0.28 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.00 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 0.67 -0.50 3.70 0.72 0.00 0.87 -4.97 105.19 105.69 2cr9 n GLY 55 Ca 0.06 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2cr9 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cr9 s THR 56 N -3.30 1.28 0.19 2.61 -4.23 0.03 -4.95 115.64 107.28 2cr9 s THR 56 Ca 0.66 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.26 2cr9 s THR 56 Cb -0.33 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 2cr9 s THR 56 CO 0.82 0.00 -0.16 0.20 -0.54 0.00 0.00 174.62 174.94 2cr9 s ASN 57 N -3.81 2.62 -0.18 3.99 -0.87 -1.21 0.15 114.94 115.63 2cr9 s ASN 57 Ca 0.14 -0.97 -0.16 0.00 -1.57 0.00 0.00 52.86 50.30 2cr9 s ASN 57 Cb 0.04 -0.15 0.05 0.00 -0.02 0.00 0.00 41.25 41.17 2cr9 s ASN 57 CO 0.07 -0.12 0.48 -0.44 -2.57 0.00 0.00 177.10 174.53 2cr9 s SER 58 N -3.10 -0.52 -0.02 -1.22 0.01 0.52 -2.98 113.70 106.39 2cr9 s SER 58 Ca 0.20 0.98 -0.04 0.00 1.31 0.00 0.00 55.95 58.41 2cr9 s SER 58 Cb -0.03 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.19 2cr9 s SER 58 CO 0.07 -0.17 0.08 -0.72 0.41 0.00 0.00 173.24 172.91 2cr9 s TYR 59 N 0.36 -0.00 -0.04 2.43 -0.85 -1.24 0.11 117.35 118.12 2cr9 s TYR 59 Ca -0.01 0.02 -0.02 0.00 -0.52 0.00 0.00 57.07 56.55 2cr9 s TYR 59 Cb -0.04 -0.02 0.03 0.00 0.38 0.00 0.00 41.96 42.31 2cr9 s TYR 59 CO -0.01 -0.13 0.07 -0.47 -1.52 0.00 0.00 175.55 173.50 2cr9 s TYR 60 N -0.54 -0.01 0.04 -3.49 6.14 -0.84 -3.68 117.35 114.97 2cr9 s TYR 60 Ca -0.06 0.28 0.05 0.00 0.64 0.00 0.00 57.07 57.98 2cr9 s TYR 60 Cb -0.04 -0.32 -0.04 0.00 0.42 0.00 0.00 41.96 41.99 2cr9 s TYR 60 CO 0.00 -0.16 -0.08 0.15 0.64 0.00 0.00 175.55 176.11 2cr9 s LYS 61 N 1.66 2.41 -0.13 4.97 -0.14 -0.81 0.00 119.74 127.71 2cr9 s LYS 61 Ca -0.02 -0.83 -0.04 0.00 -1.36 0.00 0.00 55.97 53.72 2cr9 s LYS 61 Cb -0.12 -2.43 0.06 0.00 -1.68 0.00 0.00 37.83 33.65 2cr9 s LYS 61 CO -0.04 0.57 0.15 -1.17 -0.76 0.00 0.00 175.35 174.10 2cr9 s LEU 62 N -1.73 0.02 -0.08 3.17 2.96 -0.76 -2.66 118.68 119.60 2cr9 s LEU 62 Ca 0.19 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.08 2cr9 s LEU 62 Cb -0.11 0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.77 2cr9 s LEU 62 CO 0.10 -0.29 -0.02 -1.10 -1.32 0.00 0.00 176.35 173.73 2cr9 s GLN 63 N 2.26 0.84 -0.28 1.98 -0.21 -1.15 -2.05 119.66 121.05 2cr9 s GLN 63 Ca 0.04 0.00 -0.14 0.00 0.02 0.00 0.00 55.36 55.28 2cr9 s GLN 63 Cb -0.14 -1.10 -0.04 0.00 1.00 0.00 0.00 33.01 32.74 2cr9 s GLN 63 CO -0.08 -0.27 0.34 -1.17 -2.12 0.00 0.00 175.29 171.99 2cr9 s LEU 64 N 1.81 4.09 0.11 2.90 2.96 -0.91 -2.95 118.68 126.69 2cr9 s LEU 64 Ca 0.03 0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 2cr9 s LEU 64 Cb -0.13 -2.36 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 2cr9 s LEU 64 CO -0.05 -0.19 0.38 -0.76 -1.32 0.00 0.00 176.35 174.41 2cr9 s LEU 65 N 2.02 4.30 0.01 -0.68 1.43 -1.11 0.30 118.68 124.94 2cr9 s LEU 65 Ca 0.13 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2cr9 s LEU 65 Cb -0.16 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 2cr9 s LEU 65 CO 0.10 0.10 -0.06 -1.83 0.23 0.00 0.00 176.35 174.90 2cr9 s GLU 66 N -2.35 0.45 -0.10 1.70 -1.05 0.59 -2.73 118.70 115.21 2cr9 s GLU 66 Ca 0.38 -0.34 -0.30 0.00 -0.15 0.00 0.00 54.97 54.56 2cr9 s GLU 66 Cb -0.13 -0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 33.17 2cr9 s GLU 66 CO 0.22 0.10 1.03 0.34 0.95 0.00 0.00 175.26 177.90 2cr9 s ASP 67 N -0.50 7.22 0.04 0.83 -1.08 0.29 -0.93 116.67 122.53 2cr9 s ASP 67 Ca -0.01 1.57 -0.03 0.00 -0.52 0.00 0.00 52.55 53.56 2cr9 s ASP 67 Cb -0.04 -2.56 -0.28 0.00 -1.46 0.00 0.00 42.92 38.59 2cr9 s ASP 67 CO -0.00 -0.47 0.98 -0.78 0.52 0.00 0.00 175.17 175.43 2cr9 h ASP 68 N 7.15 0.38 0.00 -0.34 3.58 -1.90 -3.41 116.42 121.88 2cr9 h ASP 68 Ca -0.31 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 56.67 2cr9 h ASP 68 Cb 1.15 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2cr9 h ASP 68 CO 0.86 1.38 0.00 0.29 -2.88 0.00 0.00 179.24 178.89 2cr9 n LYS 69 N -3.47 0.00 0.00 0.28 5.02 -1.26 -5.00 118.16 113.73 2cr9 n LYS 69 Ca -0.12 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2cr9 n LYS 69 Cb 1.03 -0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 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 -1.09 0.62 -3.93 1.97 -0.58 -1.26 -5.03 120.64 111.33 2cr9 n GLU 70 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 2cr9 n GLU 70 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 2cr9 n GLU 70 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2cr9 s ASN 71 N -1.01 4.38 -0.18 1.62 2.20 -1.26 -4.54 114.94 116.15 2cr9 s ASN 71 Ca 0.00 -3.15 -0.13 0.00 -0.94 0.00 0.00 52.86 48.64 2cr9 s ASN 71 Cb 0.00 -1.62 0.05 0.00 -2.00 0.00 0.00 41.25 37.68 2cr9 s ASN 71 CO 0.00 -0.21 0.45 -0.13 -2.94 0.00 0.00 177.10 174.27 2cr9 s ARG 72 N -0.48 0.48 -0.03 3.55 0.52 -1.26 -5.00 118.95 116.72 2cr9 s ARG 72 Ca 0.18 0.74 0.04 0.00 -0.52 0.00 0.00 55.73 56.18 2cr9 s ARG 72 Cb -0.22 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.36 2cr9 s ARG 72 CO -0.03 -0.11 -0.16 0.71 0.02 0.00 0.00 175.30 175.73 2cr9 s TYR 73 N 0.88 1.51 0.30 -0.53 1.51 -1.26 -0.55 117.35 119.22 2cr9 s TYR 73 Ca -0.05 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.72 2cr9 s TYR 73 Cb -0.06 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 2cr9 s TYR 73 CO -0.07 -0.10 0.13 -1.58 -1.11 0.00 0.00 175.55 172.81 2cr9 s TRP 74 N -0.09 2.81 -0.37 2.71 0.51 -1.11 0.16 118.94 123.56 2cr9 s TRP 74 Ca -0.00 -0.27 0.02 0.00 -2.12 0.00 0.00 56.10 53.73 2cr9 s TRP 74 Cb -0.09 -1.48 0.11 0.00 -0.81 0.00 0.00 33.47 31.20 2cr9 s TRP 74 CO 0.01 0.44 0.12 0.42 -0.51 0.00 0.00 176.95 177.43 2cr9 s ILE 75 N -2.32 1.80 -0.51 2.03 -1.09 0.27 -2.75 121.20 118.62 2cr9 s ILE 75 Ca 0.35 -2.26 -0.21 0.00 -2.23 0.00 0.00 60.65 56.30 2cr9 s ILE 75 Cb -0.05 -2.31 0.04 0.00 -1.58 0.00 0.00 42.46 38.56 2cr9 s ILE 75 CO 0.23 -0.70 0.76 0.12 -1.23 0.00 0.00 174.94 174.12 2cr9 s PHE 76 N 0.84 2.95 -0.23 3.97 5.36 -1.15 -2.85 117.98 126.88 2cr9 s PHE 76 Ca 0.13 -0.23 -0.04 0.00 -0.96 0.00 0.00 56.93 55.83 2cr9 s PHE 76 Cb -0.20 -3.72 -0.00 0.00 -0.34 0.00 0.00 43.02 38.75 2cr9 s PHE 76 CO -0.10 -1.13 -0.04 1.03 -1.46 0.00 0.00 175.22 173.52 2cr9 s ARG 77 N 3.19 3.29 -0.08 10.12 1.81 0.13 -2.93 118.95 134.49 2cr9 s ARG 77 Ca 0.23 -0.69 0.01 0.00 -1.72 0.00 0.00 55.73 53.57 2cr9 s ARG 77 Cb -0.16 -3.02 -0.03 0.00 -0.45 0.00 0.00 34.95 31.30 2cr9 s ARG 77 CO 0.16 -0.24 -0.10 -1.54 -0.68 0.00 0.00 175.30 172.91 2cr9 s SER 78 N 1.46 4.35 0.17 0.23 1.04 -1.09 0.62 113.70 120.48 2cr9 s SER 78 Ca 0.05 -0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 2cr9 s SER 78 Cb -0.15 -1.16 -0.00 0.00 0.10 0.00 0.00 66.02 64.81 2cr9 s SER 78 CO -0.03 0.32 0.31 -1.66 0.98 0.00 0.00 173.24 173.15 2cr9 s TRP 79 N -0.54 0.35 0.00 5.02 -2.14 -0.27 -1.93 118.94 119.43 2cr9 s TRP 79 Ca 0.08 -0.71 0.00 0.00 2.66 0.00 0.00 56.10 58.13 2cr9 s TRP 79 Cb -0.12 -0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.24 2cr9 s TRP 79 CO 0.02 -0.74 0.00 0.41 -2.66 0.00 0.00 176.95 173.98 2cr9 n GLY 80 N -0.23 3.63 3.58 3.67 0.00 -1.24 -0.97 105.19 113.63 2cr9 n GLY 80 Ca -0.08 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2cr9 n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cr9 s ARG 81 N -0.99 3.33 0.68 1.61 3.52 -1.16 -3.59 118.95 122.35 2cr9 s ARG 81 Ca 0.00 0.62 -0.16 0.00 -0.13 0.00 0.00 55.73 56.06 2cr9 s ARG 81 Cb 0.00 -4.12 0.01 0.00 -1.56 0.00 0.00 34.95 29.28 2cr9 s ARG 81 CO 0.00 -1.89 1.20 0.54 -0.81 0.00 0.00 175.30 174.34 2cr9 s VAL 82 N 6.11 2.52 -1.55 7.11 0.11 -1.16 -2.47 120.40 131.06 2cr9 s VAL 82 Ca 0.56 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 2cr9 s VAL 82 Cb -0.12 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 2cr9 s VAL 82 CO 0.27 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.53 2cr9 n GLY 83 N 0.30 1.50 0.00 6.54 0.00 -1.26 -3.34 105.19 108.93 2cr9 n GLY 83 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.54 0.00 0.00 2.61 -1.04 -1.03 -4.90 114.28 107.37 2cr9 n THR 84 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2cr9 n THR 84 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 2cr9 n THR 84 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2cr9 n VAL 85 N 0.00 0.00 -0.96 12.58 0.24 -1.25 -5.07 118.33 123.88 2cr9 n VAL 85 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 2cr9 n VAL 85 Cb 0.00 -0.84 -0.00 0.00 -1.47 0.00 0.00 33.84 31.53 2cr9 n VAL 85 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2cr9 n ILE 86 N -2.63 0.42 0.00 1.34 5.41 -1.26 -4.83 119.36 117.81 2cr9 n ILE 86 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.38 2cr9 n ILE 86 Cb 0.21 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.14 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 1.74 2.64 0.00 7.39 0.00 -1.26 -2.99 105.19 112.71 2cr9 n GLY 87 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2cr9 n GLY 87 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr9 n SER 88 N 0.00 0.00 -2.77 1.61 7.64 -0.14 -4.94 113.62 115.02 2cr9 n SER 88 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 2cr9 n SER 88 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2cr9 n SER 88 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2cr9 n ASN 89 N 0.00 -0.57 -3.67 6.43 0.23 -1.26 -1.11 115.26 115.31 2cr9 n ASN 89 Ca 0.00 -2.74 -0.11 0.00 -0.53 0.00 0.00 54.58 51.21 2cr9 n ASN 89 Cb 0.00 1.34 -0.08 0.00 -2.08 0.00 0.00 39.78 38.95 2cr9 n ASN 89 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2cr9 s LYS 90 N -3.07 0.62 -0.11 -3.83 2.20 0.20 -4.95 119.74 110.81 2cr9 s LYS 90 Ca 0.32 0.95 -0.02 0.00 -0.36 0.00 0.00 55.97 56.86 2cr9 s LYS 90 Cb 0.02 0.18 0.04 0.00 -1.51 0.00 0.00 37.83 36.56 2cr9 s LYS 90 CO 0.22 -0.12 0.03 -1.17 -0.36 0.00 0.00 175.35 173.95 2cr9 s LEU 91 N 1.03 0.65 0.22 5.43 2.96 -1.25 0.19 118.68 127.91 2cr9 s LEU 91 Ca -0.06 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.62 2cr9 s LEU 91 Cb -0.05 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.17 2cr9 s LEU 91 CO -0.10 -0.25 -0.13 -1.61 -1.32 0.00 0.00 176.35 172.95 2cr9 s GLU 92 N 1.99 1.36 -0.28 1.98 2.02 -1.13 -4.93 118.70 119.71 2cr9 s GLU 92 Ca 0.03 -1.62 -0.09 0.00 0.02 0.00 0.00 54.97 53.32 2cr9 s GLU 92 Cb -0.14 -1.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.94 2cr9 s GLU 92 CO -0.06 0.16 0.11 -1.14 0.02 0.00 0.00 175.26 174.36 2cr9 s GLN 93 N -3.66 3.54 0.33 1.61 0.74 -1.26 -0.56 119.66 120.39 2cr9 s GLN 93 Ca 0.24 -0.57 -0.22 0.00 0.05 0.00 0.00 55.36 54.86 2cr9 s GLN 93 Cb -0.00 -3.45 -0.10 0.00 1.10 0.00 0.00 33.01 30.56 2cr9 s GLN 93 CO 0.08 -0.29 0.87 -1.64 -0.55 0.00 0.00 175.29 173.76 2cr9 s MET 94 N 1.62 4.33 -0.08 1.67 -1.94 0.42 -4.99 119.30 120.34 2cr9 s MET 94 Ca 0.06 1.08 -0.27 0.00 -1.71 0.00 0.00 55.69 54.84 2cr9 s MET 94 Cb -0.16 -2.60 -0.23 0.00 2.01 0.00 0.00 34.83 33.85 2cr9 s MET 94 CO 0.05 0.21 1.00 -1.00 -0.01 0.00 0.00 175.02 175.27 2cr9 h PRO 95 N 2.76 -0.01 -6.04 2.03 0.13 -1.94 -3.34 132.00 125.59 2cr9 h PRO 95 Ca -0.48 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 2cr9 h PRO 95 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2cr9 h PRO 95 CO 0.64 0.73 -0.66 0.45 -0.23 0.00 0.00 178.00 178.94 2cr9 s SER 96 N -5.95 4.01 0.14 1.44 0.15 -1.26 -4.89 113.70 107.35 2cr9 s SER 96 Ca -0.17 -1.02 -0.14 0.00 0.70 0.00 0.00 55.95 55.31 2cr9 s SER 96 Cb -0.01 -0.48 0.02 0.00 -1.71 0.00 0.00 66.02 63.84 2cr9 s SER 96 CO 0.67 -0.17 1.67 0.50 1.20 0.00 0.00 173.24 177.12 2cr9 h LYS 97 N 1.93 0.71 0.45 5.44 3.64 -1.95 -2.65 116.57 124.13 2cr9 h LYS 97 Ca -0.42 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 2cr9 h LYS 97 Cb 1.25 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2cr9 h LYS 97 CO 0.66 0.66 -0.21 0.93 -2.27 0.00 0.00 179.45 179.22 2cr9 h GLU 98 N 0.60 -0.58 -1.27 1.90 5.08 -1.97 0.37 114.58 118.71 2cr9 h GLU 98 Ca 0.15 0.04 0.37 0.00 -1.00 0.00 0.00 59.36 58.92 2cr9 h GLU 98 Cb 0.24 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2cr9 h GLU 98 CO -0.01 -0.35 0.99 -0.44 -1.00 0.00 0.00 179.01 178.20 2cr9 h ASP 99 N -0.67 0.00 0.28 1.42 5.19 -1.95 2.15 116.42 122.84 2cr9 h ASP 99 Ca -0.06 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.01 2cr9 h ASP 99 Cb 0.50 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.03 2cr9 h ASP 99 CO 0.10 0.00 -1.57 0.00 -3.12 0.00 0.00 179.24 174.65 2cr9 h ALA 100 N 1.22 0.00 -0.31 3.45 0.00 -0.96 -2.29 119.26 120.36 2cr9 h ALA 100 Ca 0.60 -0.98 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 2cr9 h ALA 100 Cb 2.57 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 20.64 2cr9 h ALA 100 CO -0.01 0.87 -0.40 0.82 0.00 0.00 0.00 179.25 180.53 2cr9 h ILE 101 N 0.12 1.29 -0.48 0.00 2.04 0.44 -1.02 117.51 119.90 2cr9 h ILE 101 Ca -0.28 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 63.95 2cr9 h ILE 101 Cb 2.13 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.74 2cr9 h ILE 101 CO 0.23 0.52 0.10 -0.33 0.00 0.00 0.00 178.15 178.66 2cr9 h GLU 102 N 0.60 0.79 -0.06 2.37 5.08 0.26 1.78 114.58 125.40 2cr9 h GLU 102 Ca 0.04 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2cr9 h GLU 102 Cb 0.99 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2cr9 h GLU 102 CO 0.09 0.78 -0.27 1.25 -1.00 0.00 0.00 179.01 179.87 2cr9 h HIS 103 N 0.67 0.11 0.00 4.33 2.76 -1.35 0.39 115.15 122.05 2cr9 h HIS 103 Ca 0.15 -0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 58.05 2cr9 h HIS 103 Cb 0.36 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 2cr9 h HIS 103 CO 0.02 0.36 -1.46 0.35 -1.30 0.00 0.00 177.93 175.91 2cr9 h PHE 104 N 0.09 0.00 0.04 5.26 3.04 -0.64 -2.19 116.94 122.54 2cr9 h PHE 104 Ca 0.01 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.73 2cr9 h PHE 104 Cb 0.52 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.03 2cr9 h PHE 104 CO 0.00 0.96 -1.01 0.52 -2.02 0.00 0.00 178.31 176.76 2cr9 h MET 105 N 0.00 0.26 0.02 1.11 2.86 0.31 -2.66 114.93 116.83 2cr9 h MET 105 Ca -0.19 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.07 2cr9 h MET 105 Cb 1.90 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.67 2cr9 h MET 105 CO 0.09 1.08 -0.20 -0.22 1.06 0.00 0.00 176.91 178.72 2cr9 h LYS 106 N 0.12 0.04 -0.28 1.72 3.64 -0.36 -3.03 116.57 118.43 2cr9 h LYS 106 Ca -0.08 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2cr9 h LYS 106 Cb 1.69 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.46 2cr9 h LYS 106 CO 0.16 1.03 -0.31 -0.07 -2.27 0.00 0.00 179.45 178.00 2cr9 h LEU 107 N -0.91 -0.99 0.00 5.20 3.38 -1.50 1.09 115.31 121.57 2cr9 h LEU 107 Ca -0.04 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2cr9 h LEU 107 Cb 1.11 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2cr9 h LEU 107 CO 0.01 -0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.21 2cr9 n TYR 108 N -5.41 0.00 0.01 1.13 9.36 -1.00 -0.88 117.16 120.37 2cr9 n TYR 108 Ca -0.01 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.31 2cr9 n TYR 108 Cb 0.32 -0.46 -0.14 0.00 -0.63 0.00 0.00 39.34 38.43 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 -1.46 0.65 0.11 2.98 2.13 0.32 -3.63 120.64 121.74 2cr9 n GLU 109 Ca 0.02 -0.13 -0.23 0.00 0.66 0.00 0.00 57.16 57.49 2cr9 n GLU 109 Cb 0.08 -1.58 -0.15 0.00 0.27 0.00 0.00 31.44 30.06 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 0.51 0.23 5.31 4.11 0.20 0.25 114.58 125.18 2cr9 h GLU 110 Ca -0.03 -0.81 -0.01 0.00 0.07 0.00 0.00 59.36 58.58 2cr9 h GLU 110 Cb 1.07 0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2cr9 h GLU 110 CO 0.00 1.38 -0.11 0.87 0.07 0.00 0.00 179.01 181.22 2cr9 h LYS 111 N 0.06 -0.30 -0.56 1.06 1.79 -1.65 -3.30 116.57 113.68 2cr9 h LYS 111 Ca -0.21 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.22 2cr9 h LYS 111 Cb 1.97 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 32.66 2cr9 h LYS 111 CO 0.24 -0.20 0.09 1.79 -1.08 0.00 0.00 179.45 180.29 2cr9 h THR 112 N -0.46 1.24 0.00 -0.16 1.35 -1.66 -2.94 112.91 110.28 2cr9 h THR 112 Ca -0.03 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 2cr9 h THR 112 Cb 0.24 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 2cr9 h THR 112 CO 0.05 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 2cr9 n GLY 113 N -0.73 3.07 3.96 5.82 0.00 0.86 -4.55 105.19 113.63 2cr9 n GLY 113 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.16 6.22 0.48 1.61 -0.87 -1.21 -4.84 114.94 115.17 2cr9 s ASN 114 Ca 0.00 0.15 -0.21 0.00 -1.57 0.00 0.00 52.86 51.24 2cr9 s ASN 114 Cb 0.00 -1.78 -0.08 0.00 -0.02 0.00 0.00 41.25 39.37 2cr9 s ASN 114 CO 0.00 -0.24 1.06 0.00 -2.57 0.00 0.00 177.10 175.35 2cr9 s ALA 115 N -2.15 2.88 0.35 0.60 0.00 -1.26 -4.05 121.76 118.13 2cr9 s ALA 115 Ca 0.39 0.67 0.11 0.00 0.00 0.00 0.00 51.96 53.13 2cr9 s ALA 115 Cb -0.09 -3.28 0.89 0.00 0.00 0.00 0.00 23.12 20.64 2cr9 s ALA 115 CO 0.32 -0.38 1.81 2.35 0.00 0.00 0.00 175.76 179.86 2cr9 h TRP 116 N 1.66 0.84 -1.99 0.00 2.91 -1.88 -3.32 115.95 114.17 2cr9 h TRP 116 Ca -0.49 0.03 -0.36 0.00 1.13 0.00 0.00 58.89 59.19 2cr9 h TRP 116 Cb 1.23 -0.25 -0.31 0.00 -0.51 0.00 0.00 29.16 29.31 2cr9 h TRP 116 CO 0.56 0.20 -0.68 -1.01 -1.03 0.00 0.00 178.44 176.49 2cr9 s HIS 117 N -5.67 -0.33 0.00 2.65 3.76 -1.26 -5.01 115.29 109.43 2cr9 s HIS 117 Ca -0.10 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 2cr9 s HIS 117 Cb 0.24 -0.42 0.00 0.00 1.11 0.00 0.00 32.58 33.51 2cr9 s HIS 117 CO 0.79 -0.96 0.00 0.45 -0.85 0.00 0.00 174.74 174.17 2cr9 n SER 118 N 4.45 0.00 -3.17 1.40 2.88 -1.25 -5.12 113.62 112.82 2cr9 n SER 118 Ca 0.09 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.68 2cr9 n SER 118 Cb 0.45 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 2cr9 n SER 118 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2cr9 s LYS 119 N -0.78 0.07 0.19 -1.46 2.47 -1.26 -5.12 119.74 113.85 2cr9 s LYS 119 Ca 0.00 0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.55 2cr9 s LYS 119 Cb 0.00 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.45 2cr9 s LYS 119 CO 0.00 -0.06 0.00 0.09 0.16 0.00 0.00 175.35 175.54 2cr9 n ASN 120 N 5.23 -4.74 -4.37 1.43 3.02 -1.26 -4.84 115.26 109.73 2cr9 n ASN 120 Ca -0.08 0.34 -0.30 0.00 -0.03 0.00 0.00 54.58 54.50 2cr9 n ASN 120 Cb 0.55 -2.69 -0.14 0.00 -0.61 0.00 0.00 39.78 36.88 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 -1.79 2.38 -0.32 3.10 5.36 -1.26 -4.99 117.98 120.46 2cr9 s PHE 121 Ca 0.00 -0.38 0.03 0.00 -0.96 0.00 0.00 56.93 55.63 2cr9 s PHE 121 Cb 0.00 -1.42 0.09 0.00 -0.34 0.00 0.00 43.02 41.35 2cr9 s PHE 121 CO 0.00 0.14 0.02 0.99 -1.46 0.00 0.00 175.22 174.91 2cr9 s THR 122 N -0.82 2.34 -0.56 0.12 2.01 -1.26 -5.06 115.64 112.41 2cr9 s THR 122 Ca 0.12 -2.12 -0.27 0.00 0.31 0.00 0.00 61.69 59.74 2cr9 s THR 122 Cb -0.10 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 2cr9 s THR 122 CO 0.02 -0.44 1.95 -0.75 -0.69 0.00 0.00 174.62 174.71 2cr9 s LYS 123 N 0.98 2.60 0.41 4.92 2.36 -1.26 -4.92 119.74 124.84 2cr9 s LYS 123 Ca 0.05 0.83 0.05 0.00 -2.55 0.00 0.00 55.97 54.35 2cr9 s LYS 123 Cb -0.20 -4.40 0.00 0.00 -1.05 0.00 0.00 37.83 32.18 2cr9 s LYS 123 CO -0.07 -2.74 0.58 0.71 1.55 0.00 0.00 175.35 175.39 2cr9 s TYR 124 N 9.40 3.03 -0.12 4.03 2.02 -1.26 -5.05 117.35 129.40 2cr9 s TYR 124 Ca 0.74 -0.12 -0.29 0.00 -0.37 0.00 0.00 57.07 57.02 2cr9 s TYR 124 Cb -0.14 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 2cr9 s TYR 124 CO 0.23 -0.31 1.26 -1.25 -1.57 0.00 0.00 175.55 173.91 2cr9 s PRO 125 N -4.39 4.27 0.00 -1.71 0.04 -1.26 -2.97 135.00 128.98 2cr9 s PRO 125 Ca 0.50 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2cr9 s PRO 125 Cb -0.10 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2cr9 s PRO 125 CO 0.34 -0.63 0.00 1.63 0.04 0.00 0.00 177.00 178.38 2cr9 n LYS 126 N 6.15 0.00 -1.70 4.56 5.02 -1.26 -4.98 118.16 125.95 2cr9 n LYS 126 Ca 0.13 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.98 2cr9 n LYS 126 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.44 2cr9 n LYS 126 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2cr9 n LYS 127 N 0.00 2.26 -2.73 1.97 4.76 -1.16 -4.94 118.16 118.32 2cr9 n LYS 127 Ca 0.00 0.80 -0.37 0.00 -2.87 0.00 0.00 58.31 55.87 2cr9 n LYS 127 Cb 0.00 -2.50 -0.06 0.00 -1.84 0.00 0.00 35.03 30.63 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 -0.05 3.67 0.33 2.13 0.40 -1.11 -4.65 117.98 118.69 2cr9 s PHE 128 Ca 0.67 1.78 0.10 0.00 -0.60 0.00 0.00 56.93 58.87 2cr9 s PHE 128 Cb -0.60 -2.97 -0.06 0.00 0.51 0.00 0.00 43.02 39.90 2cr9 s PHE 128 CO 0.49 0.09 -0.08 1.52 0.70 0.00 0.00 175.22 177.95 2cr9 s TYR 129 N -1.55 2.44 -0.04 0.36 -0.85 -1.11 -3.80 117.35 112.79 2cr9 s TYR 129 Ca 0.50 -0.44 -0.30 0.00 -0.52 0.00 0.00 57.07 56.31 2cr9 s TYR 129 Cb -0.20 -1.34 -0.04 0.00 0.38 0.00 0.00 41.96 40.76 2cr9 s TYR 129 CO 0.26 0.58 1.22 -1.25 -1.52 0.00 0.00 175.55 174.83 2cr9 s PRO 130 N -3.63 4.35 -0.02 -3.49 0.04 -1.26 0.53 135.00 131.52 2cr9 s PRO 130 Ca 0.33 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 2cr9 s PRO 130 Cb -0.00 -3.54 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 2cr9 s PRO 130 CO 0.17 -0.44 0.19 -0.07 0.04 0.00 0.00 177.00 176.89 2cr9 h LEU 131 N 8.10 -0.05 -9.08 -3.56 3.38 -0.98 -3.44 115.31 109.69 2cr9 h LEU 131 Ca -0.35 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.04 2cr9 h LEU 131 Cb 1.17 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 2cr9 h LEU 131 CO 0.88 0.08 0.67 -0.70 0.09 0.00 0.00 178.44 179.45 2cr9 s GLU 132 N -1.58 4.24 -0.05 1.13 -6.30 -1.26 -5.03 118.70 109.86 2cr9 s GLU 132 Ca -0.01 1.21 0.05 0.00 -2.50 0.00 0.00 54.97 53.72 2cr9 s GLU 132 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 34.13 30.47 2cr9 s GLU 132 CO 0.03 -0.57 -0.19 0.42 0.02 0.00 0.00 175.26 174.97 2cr9 s ILE 133 N 2.99 2.66 -0.44 -3.70 1.09 -1.26 -4.84 121.20 117.71 2cr9 s ILE 133 Ca 0.41 -0.86 0.01 0.00 -1.10 0.00 0.00 60.65 59.11 2cr9 s ILE 133 Cb -0.15 -2.01 0.20 0.00 -1.06 0.00 0.00 42.46 39.43 2cr9 s ILE 133 CO 0.07 0.58 0.88 -0.55 -0.10 0.00 0.00 174.94 175.82 2cr9 s SER 134 N -0.53 -0.97 0.00 3.58 0.15 -1.26 -5.15 113.70 109.52 2cr9 s SER 134 Ca 0.07 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 55.66 2cr9 s SER 134 Cb -0.11 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 2cr9 s SER 134 CO 0.01 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2cr9 n GLY 135 N 2.97 2.89 0.08 9.45 0.00 -1.26 -5.04 105.19 114.29 2cr9 n GLY 135 Ca 0.14 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 2cr9 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr9 h PRO 136 N 0.00 -0.06 -5.20 1.61 0.13 -2.07 -3.49 132.00 122.92 2cr9 h PRO 136 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2cr9 h PRO 136 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2cr9 h PRO 136 CO 0.00 0.58 -0.76 0.45 -0.23 0.00 0.00 178.00 178.04 2cr9 n SER 137 N -4.78 -8.00 -1.41 1.44 2.88 -1.26 -4.82 113.62 97.66 2cr9 n SER 137 Ca -0.08 1.02 0.17 0.00 -1.33 0.00 0.00 58.87 58.64 2cr9 n SER 137 Cb 0.33 -5.37 -0.08 0.00 -0.75 0.00 0.00 64.21 58.33 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 0.23 -7.69 0.00 -3.46 7.64 -1.26 -4.80 113.62 104.28 2cr9 n SER 138 Ca 0.06 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.22 2cr9 n SER 138 Cb 0.22 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 58.64 2cr9 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64