#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqa s SER 2 N 0.00 4.37 0.00 1.61 1.04 -1.26 -5.08 113.70 114.38 2cqa s SER 2 Ca 0.00 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.02 2cqa s SER 2 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2cqa s SER 2 CO 0.00 -0.91 0.00 -1.54 0.98 0.00 0.00 173.24 171.77 2cqa n SER 3 N -1.46 1.40 -2.55 7.02 3.41 -1.26 -5.13 113.62 115.05 2cqa n SER 3 Ca -0.10 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.46 2cqa n SER 3 Cb 0.66 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 2cqa n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqa n GLY 4 N 2.69 -5.42 2.92 5.00 0.00 -1.26 -5.01 105.19 104.11 2cqa n GLY 4 Ca 0.00 1.59 -0.30 0.00 0.00 0.00 0.00 46.02 47.30 2cqa n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqa s SER 5 N -0.65 4.21 0.45 1.61 0.01 -1.26 -5.12 113.70 112.95 2cqa s SER 5 Ca -0.25 -1.61 0.04 0.00 1.31 0.00 0.00 55.95 55.43 2cqa s SER 5 Cb 0.02 -1.26 0.01 0.00 0.21 0.00 0.00 66.02 65.00 2cqa s SER 5 CO 0.68 -0.32 0.63 -0.94 0.41 0.00 0.00 173.24 173.70 2cqa s SER 6 N 1.28 5.65 0.00 2.44 1.04 -1.26 -4.98 113.70 117.87 2cqa s SER 6 Ca 0.03 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2cqa s SER 6 Cb -0.19 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 64.90 2cqa s SER 6 CO -0.11 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2cqa n GLY 7 N -2.00 -2.26 3.16 7.32 0.00 -1.26 -5.15 105.19 105.00 2cqa n GLY 7 Ca 0.05 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.70 2cqa n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqa s LYS 8 N 0.00 0.52 0.11 1.61 -0.14 -1.26 -5.12 119.74 115.46 2cqa s LYS 8 Ca 0.00 -0.20 -0.36 0.00 -1.36 0.00 0.00 55.97 54.06 2cqa s LYS 8 Cb 0.00 0.23 -0.16 0.00 -1.68 0.00 0.00 37.83 36.22 2cqa s LYS 8 CO 0.00 -0.13 1.36 0.39 -0.76 0.00 0.00 175.35 176.21 2cqa n GLU 9 N 1.63 1.33 -3.63 1.68 4.71 -1.26 -4.97 120.64 120.13 2cqa n GLU 9 Ca -0.21 0.48 -0.15 0.00 -0.01 0.00 0.00 57.16 57.27 2cqa n GLU 9 Cb 0.56 -2.13 -0.07 0.00 -1.01 0.00 0.00 31.44 28.79 2cqa n GLU 9 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2cqa s GLU 10 N 0.43 0.83 -0.23 3.49 -1.05 -1.26 -5.15 118.70 115.76 2cqa s GLU 10 Ca 0.82 0.33 0.02 0.00 -0.15 0.00 0.00 54.97 55.99 2cqa s GLU 10 Cb -0.89 0.39 0.05 0.00 -0.44 0.00 0.00 34.13 33.24 2cqa s GLU 10 CO 0.46 -0.21 -0.12 0.95 0.95 0.00 0.00 175.26 177.30 2cqa s THR 11 N -0.72 1.97 -0.52 1.83 -4.23 -1.26 -5.00 115.64 107.72 2cqa s THR 11 Ca -0.08 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2cqa s THR 11 Cb -0.03 -2.04 0.36 0.00 1.34 0.00 0.00 72.50 72.13 2cqa s THR 11 CO 0.05 0.09 2.02 -0.62 -0.54 0.00 0.00 174.62 175.62 2cqa n GLU 12 N 4.54 2.30 -3.83 3.99 4.71 -1.26 -4.88 120.64 126.21 2cqa n GLU 12 Ca -0.15 -2.55 -0.12 0.00 -0.01 0.00 0.00 57.16 54.32 2cqa n GLU 12 Cb 0.44 -2.00 -0.12 0.00 -1.01 0.00 0.00 31.44 28.75 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2cqa s ILE 13 N -3.72 0.01 -0.06 -3.67 1.01 -1.26 -0.21 121.20 113.31 2cqa s ILE 13 Ca 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 2cqa s ILE 13 Cb 0.40 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 42.67 2cqa s ILE 13 CO -0.00 -0.03 0.03 -0.63 0.00 0.00 0.00 174.94 174.30 2cqa s ILE 14 N -0.05 0.16 -0.19 2.92 1.01 -1.04 -4.96 121.20 119.06 2cqa s ILE 14 Ca -0.01 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 2cqa s ILE 14 Cb -0.02 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 2cqa s ILE 14 CO 0.00 0.22 -0.09 -0.70 0.00 0.00 0.00 174.94 174.38 2cqa s GLU 15 N 2.01 3.35 0.16 2.79 2.12 -1.26 -1.71 118.70 126.15 2cqa s GLU 15 Ca 0.04 -0.66 -0.06 0.00 0.36 0.00 0.00 54.97 54.65 2cqa s GLU 15 Cb -0.12 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 2cqa s GLU 15 CO -0.04 -0.06 0.22 0.20 -0.54 0.00 0.00 175.26 175.04 2cqa s GLY 16 N 1.08 0.71 -0.51 -1.50 0.00 -1.00 -4.87 107.32 101.22 2cqa s GLY 16 Ca 0.00 -1.12 -0.28 0.00 0.00 0.00 0.00 44.72 43.32 2cqa s GLY 16 CO -0.02 -1.02 1.13 1.85 0.00 0.00 0.00 173.10 175.05 2cqa s GLU 17 N -4.01 3.63 -0.60 2.90 2.12 -1.25 -2.69 118.70 118.80 2cqa s GLU 17 Ca 0.21 0.40 -0.39 0.00 0.36 0.00 0.00 54.97 55.55 2cqa s GLU 17 Cb 0.05 -3.95 -0.18 0.00 0.26 0.00 0.00 34.13 30.30 2cqa s GLU 17 CO 0.02 -1.48 2.29 0.28 -0.54 0.00 0.00 175.26 175.84 2cqa n VAL 18 N 6.74 0.03 -0.07 3.70 0.31 0.24 -3.13 118.33 126.15 2cqa n VAL 18 Ca 0.10 -0.06 -0.22 0.00 -0.01 0.00 0.00 64.34 64.15 2cqa n VAL 18 Cb 0.49 -0.75 -0.12 0.00 -0.91 0.00 0.00 33.84 32.55 2cqa n VAL 18 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2cqa n VAL 19 N 6.90 1.62 -3.68 2.52 0.31 0.97 -1.20 118.33 125.77 2cqa n VAL 19 Ca 0.55 -0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.48 2cqa n VAL 19 Cb 0.04 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 30.97 2cqa n VAL 19 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2cqa s GLU 20 N -2.44 0.85 -0.18 5.55 2.56 -1.15 -4.78 118.70 119.12 2cqa s GLU 20 Ca -0.27 -0.21 -0.05 0.00 0.00 0.00 0.00 54.97 54.44 2cqa s GLU 20 Cb 0.06 0.38 0.07 0.00 2.00 0.00 0.00 34.13 36.64 2cqa s GLU 20 CO 0.65 -0.27 0.11 0.42 -0.56 0.00 0.00 175.26 175.61 2cqa s ILE 21 N -1.87 -0.12 0.17 -3.70 1.01 -1.26 -1.54 121.20 113.89 2cqa s ILE 21 Ca -0.09 -0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.47 2cqa s ILE 21 Cb -0.02 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 2cqa s ILE 21 CO 0.02 -0.29 -0.10 -1.58 0.00 0.00 0.00 174.94 172.99 2cqa s GLN 22 N 2.16 2.06 -0.23 2.79 0.74 0.59 -4.97 119.66 122.79 2cqa s GLN 22 Ca 0.03 -1.25 0.00 0.00 0.05 0.00 0.00 55.36 54.19 2cqa s GLN 22 Cb -0.16 -2.17 0.06 0.00 1.10 0.00 0.00 33.01 31.85 2cqa s GLN 22 CO -0.11 0.44 -0.02 0.42 -0.55 0.00 0.00 175.29 175.47 2cqa s ILE 23 N -1.65 1.30 -0.56 -2.34 -1.09 -1.26 0.33 121.20 115.92 2cqa s ILE 23 Ca 0.24 -1.13 -0.28 0.00 -2.23 0.00 0.00 60.65 57.25 2cqa s ILE 23 Cb -0.09 -1.66 0.01 0.00 -1.58 0.00 0.00 42.46 39.14 2cqa s ILE 23 CO 0.15 -0.18 1.48 -0.62 -1.23 0.00 0.00 174.94 174.54 2cqa s ASP 24 N 1.49 6.02 -0.10 3.58 -1.08 0.19 -4.95 116.67 121.82 2cqa s ASP 24 Ca -0.03 0.32 -0.11 0.00 -0.52 0.00 0.00 52.55 52.20 2cqa s ASP 24 Cb -0.18 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.69 2cqa s ASP 24 CO -0.08 -1.79 0.25 -0.60 0.52 0.00 0.00 175.17 173.48 2cqa s ARG 25 N 5.69 3.83 0.25 4.34 3.52 -1.26 -3.65 118.95 131.67 2cqa s ARG 25 Ca 0.55 0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 2cqa s ARG 25 Cb -0.11 -3.27 -0.09 0.00 -1.56 0.00 0.00 34.95 29.91 2cqa s ARG 25 CO 0.24 0.59 1.27 -1.25 -0.81 0.00 0.00 175.30 175.34 2cqa s PRO 26 N -0.58 4.43 -0.55 5.12 0.04 -1.26 -4.98 135.00 137.23 2cqa s PRO 26 Ca 0.17 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 63.01 2cqa s PRO 26 Cb -0.14 -3.16 0.04 0.00 0.04 0.00 0.00 34.50 31.29 2cqa s PRO 26 CO 0.06 -0.14 0.99 0.00 0.04 0.00 0.00 177.00 177.95 2cqa s ALA 27 N -0.51 3.13 -1.46 8.56 0.00 -1.26 -4.03 121.76 126.19 2cqa s ALA 27 Ca 0.52 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 2cqa s ALA 27 Cb -0.36 -3.79 0.06 0.00 0.00 0.00 0.00 23.12 19.02 2cqa s ALA 27 CO 0.43 -2.41 1.02 2.41 0.00 0.00 0.00 175.76 177.22 2cqa n THR 28 N 6.32 -2.59 -3.61 0.00 -1.04 -1.26 -4.97 114.28 107.12 2cqa n THR 28 Ca 0.04 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.05 61.81 2cqa n THR 28 Cb 0.48 -3.29 -0.15 0.00 -1.82 0.00 0.00 70.33 65.55 2cqa n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2cqa s GLY 29 N -3.42 0.06 -0.51 3.41 0.00 -1.26 -5.11 107.32 100.49 2cqa s GLY 29 Ca 0.58 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 45.42 2cqa s GLY 29 CO 0.80 1.83 1.17 -1.59 0.00 0.00 0.00 173.10 175.31 2cqa s THR 30 N 2.29 4.13 0.21 0.90 2.01 -1.26 -4.65 115.64 119.27 2cqa s THR 30 Ca 0.04 1.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.94 2cqa s THR 30 Cb -0.13 -4.64 0.08 0.00 0.01 0.00 0.00 72.50 67.81 2cqa s THR 30 CO -0.08 -1.12 1.02 -0.83 -0.69 0.00 0.00 174.62 172.92 2cqa s GLY 31 N 2.68 0.16 1.02 4.40 0.00 -1.26 -5.16 107.32 109.16 2cqa s GLY 31 Ca 0.47 -0.41 -0.19 0.00 0.00 0.00 0.00 44.72 44.59 2cqa s GLY 31 CO 0.30 2.43 -0.43 -1.14 0.00 0.00 0.00 173.10 174.26 2cqa n SER 32 N -1.30 -3.31 -4.35 1.64 3.41 -1.26 -4.98 113.62 103.48 2cqa n SER 32 Ca -0.03 0.10 -0.30 0.00 -0.26 0.00 0.00 58.87 58.37 2cqa n SER 32 Cb 0.59 -0.88 -0.15 0.00 -0.26 0.00 0.00 64.21 63.52 2cqa n SER 32 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2cqa s LYS 33 N -2.84 1.85 0.05 4.33 -2.85 -1.26 -4.85 119.74 114.16 2cqa s LYS 33 Ca 0.48 -1.09 0.04 0.00 -1.00 0.00 0.00 55.97 54.40 2cqa s LYS 33 Cb -0.11 -1.99 -0.02 0.00 -2.06 0.00 0.00 37.83 33.65 2cqa s LYS 33 CO 0.70 0.52 -0.11 0.14 0.10 0.00 0.00 175.35 176.70 2cqa s VAL 34 N -0.79 0.87 0.04 1.79 -7.23 -1.24 -2.04 120.40 111.79 2cqa s VAL 34 Ca 0.12 -1.05 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2cqa s VAL 34 Cb -0.10 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 2cqa s VAL 34 CO 0.02 -0.18 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.74 2cqa s GLY 35 N -1.38 0.41 -0.24 2.32 0.00 -0.76 0.53 107.32 108.20 2cqa s GLY 35 Ca -0.03 -0.74 -0.08 0.00 0.00 0.00 0.00 44.72 43.87 2cqa s GLY 35 CO 0.01 -0.81 0.08 1.25 0.00 0.00 0.00 173.10 173.63 2cqa s LYS 36 N -1.74 3.73 0.04 2.90 2.20 0.15 -0.76 119.74 126.27 2cqa s LYS 36 Ca -0.11 -0.45 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 2cqa s LYS 36 Cb -0.09 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2cqa s LYS 36 CO -0.01 -0.11 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.57 2cqa s LEU 37 N 1.41 2.87 -0.09 5.43 2.96 -1.13 -0.30 118.68 129.83 2cqa s LEU 37 Ca 0.05 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2cqa s LEU 37 Cb -0.15 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.89 2cqa s LEU 37 CO 0.04 0.25 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.35 2cqa s THR 38 N -1.01 0.95 -0.02 3.68 2.01 -0.59 -0.84 115.64 119.81 2cqa s THR 38 Ca 0.17 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 61.96 2cqa s THR 38 Cb -0.11 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 2cqa s THR 38 CO 0.08 0.34 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.36 2cqa s LEU 39 N 1.45 2.04 -0.62 4.42 1.02 -1.06 -0.02 118.68 125.90 2cqa s LEU 39 Ca -0.00 -0.42 -0.22 0.00 0.02 0.00 0.00 54.13 53.51 2cqa s LEU 39 Cb -0.13 -1.19 0.07 0.00 0.02 0.00 0.00 46.19 44.96 2cqa s LEU 39 CO -0.05 0.27 0.88 -0.75 0.02 0.00 0.00 176.35 176.73 2cqa s LYS 40 N -0.46 3.12 0.09 1.70 2.20 -1.18 -1.33 119.74 123.87 2cqa s LYS 40 Ca 0.07 -0.89 0.09 0.00 -0.36 0.00 0.00 55.97 54.88 2cqa s LYS 40 Cb -0.10 -4.21 -0.03 0.00 -1.51 0.00 0.00 37.83 31.98 2cqa s LYS 40 CO -0.00 -1.69 -0.24 0.95 -0.36 0.00 0.00 175.35 174.01 2cqa s THR 41 N 3.66 1.96 -1.50 3.43 -4.23 0.26 -3.83 115.64 115.40 2cqa s THR 41 Ca 0.20 -1.50 -0.05 0.00 -1.18 0.00 0.00 61.69 59.16 2cqa s THR 41 Cb -0.18 -1.73 0.04 0.00 1.34 0.00 0.00 72.50 71.98 2cqa s THR 41 CO 0.10 0.13 0.50 0.41 -0.54 0.00 0.00 174.62 175.23 2cqa n THR 42 N 1.35 -2.38 -1.96 3.99 -1.04 -1.26 0.95 114.28 113.92 2cqa n THR 42 Ca -0.18 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.05 61.30 2cqa n THR 42 Cb 0.53 -2.31 -0.04 0.00 -1.82 0.00 0.00 70.33 66.69 2cqa n THR 42 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2cqa n GLU 43 N -4.42 -1.65 -3.74 -2.82 -0.58 -1.26 -4.93 120.64 101.23 2cqa n GLU 43 Ca -0.20 0.93 -0.12 0.00 -0.42 0.00 0.00 57.16 57.34 2cqa n GLU 43 Cb 0.63 -5.41 -0.11 0.00 -0.57 0.00 0.00 31.44 25.98 2cqa n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cqa s MET 44 N -4.26 0.36 -0.08 3.49 0.23 0.27 -5.15 119.30 114.16 2cqa s MET 44 Ca 0.00 0.52 -0.17 0.00 -1.03 0.00 0.00 55.69 55.01 2cqa s MET 44 Cb 0.00 0.11 -0.05 0.00 -1.53 0.00 0.00 34.83 33.36 2cqa s MET 44 CO 0.00 -0.08 0.45 -1.21 -2.03 0.00 0.00 175.02 172.15 2cqa s GLU 45 N 0.54 4.23 -0.02 3.16 2.02 -1.26 0.90 118.70 128.27 2cqa s GLU 45 Ca -0.03 0.43 0.05 0.00 0.02 0.00 0.00 54.97 55.44 2cqa s GLU 45 Cb -0.04 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.80 2cqa s GLU 45 CO -0.03 0.32 -0.16 0.99 0.02 0.00 0.00 175.26 176.39 2cqa s THR 46 N 0.12 1.29 0.28 3.63 2.01 -0.44 -4.95 115.64 117.58 2cqa s THR 46 Ca 0.25 -0.68 -0.22 0.00 0.31 0.00 0.00 61.69 61.34 2cqa s THR 46 Cb -0.16 -1.08 -0.09 0.00 0.01 0.00 0.00 72.50 71.18 2cqa s THR 46 CO 0.11 0.37 0.83 -0.63 -0.69 0.00 0.00 174.62 174.61 2cqa s ILE 47 N -0.25 4.40 -0.11 1.82 1.01 -1.26 -2.58 121.20 124.23 2cqa s ILE 47 Ca 0.03 1.53 -0.01 0.00 0.00 0.00 0.00 60.65 62.20 2cqa s ILE 47 Cb -0.08 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.52 2cqa s ILE 47 CO 0.00 0.14 -0.02 -0.31 0.00 0.00 0.00 174.94 174.75 2cqa s TYR 48 N -1.61 1.04 -0.05 3.97 2.02 -0.02 -5.00 117.35 117.70 2cqa s TYR 48 Ca 0.47 -0.50 -0.30 0.00 -0.37 0.00 0.00 57.07 56.38 2cqa s TYR 48 Cb -0.17 -1.00 -0.07 0.00 -0.40 0.00 0.00 41.96 40.32 2cqa s TYR 48 CO 0.22 -0.44 1.90 -0.51 -1.57 0.00 0.00 175.55 175.15 2cqa s ASP 49 N 1.85 6.34 -0.27 2.29 1.01 -1.26 -2.84 116.67 123.79 2cqa s ASP 49 Ca 0.04 2.35 -0.14 0.00 0.71 0.00 0.00 52.55 55.51 2cqa s ASP 49 Cb -0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 2cqa s ASP 49 CO -0.07 -1.18 0.31 -0.76 0.21 0.00 0.00 175.17 173.68 2cqa s LEU 50 N 5.03 4.04 0.53 1.23 1.43 0.06 -5.01 118.68 126.00 2cqa s LEU 50 Ca 0.85 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 54.09 2cqa s LEU 50 Cb -0.37 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 2cqa s LEU 50 CO 0.37 -0.13 0.84 -0.83 0.23 0.00 0.00 176.35 176.82 2cqa s GLY 51 N 1.65 1.56 0.11 -3.19 0.00 -1.26 -1.83 107.32 104.36 2cqa s GLY 51 Ca 0.12 -0.61 -0.21 0.00 0.00 0.00 0.00 44.72 44.02 2cqa s GLY 51 CO 0.10 -0.39 1.19 2.41 0.00 0.00 0.00 173.10 176.41 2cqa n THR 52 N -2.42 -0.45 0.11 0.90 -1.04 -0.87 -0.82 114.28 109.69 2cqa n THR 52 Ca 0.03 1.86 -0.15 0.00 -2.04 0.00 0.00 64.05 63.74 2cqa n THR 52 Cb 0.56 -2.32 -0.09 0.00 -1.82 0.00 0.00 70.33 66.66 2cqa n THR 52 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 2cqa h LYS 53 N 0.00 -0.68 -0.87 -2.82 2.10 -1.94 -1.87 116.57 110.49 2cqa h LYS 53 Ca 0.11 0.05 0.21 0.00 -2.00 0.00 0.00 60.65 59.01 2cqa h LYS 53 Cb 0.27 0.16 -0.16 0.00 -0.90 0.00 0.00 32.23 31.59 2cqa h LYS 53 CO -0.63 -0.45 -0.10 -1.33 -2.00 0.00 0.00 179.45 174.94 2cqa n MET 54 N -5.48 -0.07 -0.02 0.07 2.81 -0.00 0.91 117.12 115.34 2cqa n MET 54 Ca -0.08 1.33 -0.10 0.00 -1.81 0.00 0.00 57.70 57.05 2cqa n MET 54 Cb 0.40 -2.05 -0.04 0.00 -0.71 0.00 0.00 33.22 30.82 2cqa n MET 54 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2cqa h ILE 55 N 0.00 0.89 -1.80 2.02 2.04 -0.48 -1.78 117.51 118.41 2cqa h ILE 55 Ca 0.47 -0.01 0.52 0.00 1.00 0.00 0.00 64.86 66.84 2cqa h ILE 55 Cb 0.87 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 2cqa h ILE 55 CO -0.86 0.01 1.38 -0.62 0.00 0.00 0.00 178.15 178.06 2cqa n GLU 56 N -5.13 0.00 -0.07 2.37 -0.58 0.26 0.90 120.64 118.39 2cqa n GLU 56 Ca -0.04 1.06 -0.14 0.00 -0.42 0.00 0.00 57.16 57.62 2cqa n GLU 56 Cb 0.09 -2.48 -0.13 0.00 -0.57 0.00 0.00 31.44 28.34 2cqa n GLU 56 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2cqa h SER 57 N 0.00 0.01 0.00 1.62 0.87 -1.26 -2.97 113.55 111.82 2cqa h SER 57 Ca 0.85 -0.98 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2cqa h SER 57 Cb 3.60 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 65.56 2cqa h SER 57 CO -0.01 0.99 0.15 0.18 -0.53 0.00 0.00 176.83 177.62 2cqa n LEU 58 N -4.61 0.34 -0.11 2.23 4.77 0.26 -1.63 117.00 118.25 2cqa n LEU 58 Ca -0.10 0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 56.24 2cqa n LEU 58 Cb 0.48 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 2cqa n LEU 58 CO 0.34 -0.71 -0.71 0.35 -1.33 0.00 0.00 177.39 175.34 2cqa n THR 59 N -1.98 1.53 -0.29 -5.08 -2.24 -0.80 -0.51 114.28 104.91 2cqa n THR 59 Ca -0.01 -0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.79 2cqa n THR 59 Cb 0.17 -2.01 0.28 0.00 -2.10 0.00 0.00 70.33 66.67 2cqa n THR 59 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2cqa h LYS 60 N -1.00 0.35 -0.02 -0.78 3.11 -1.14 0.21 116.57 117.31 2cqa h LYS 60 Ca -0.42 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 2cqa h LYS 60 Cb 1.36 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 2cqa h LYS 60 CO -0.25 0.23 -0.15 -3.47 -2.81 0.00 0.00 179.45 173.00 2cqa n ASP 61 N -5.08 2.58 -3.91 4.20 -0.08 -1.08 -4.98 116.55 108.22 2cqa n ASP 61 Ca 0.20 -1.79 -0.28 0.00 -1.51 0.00 0.00 54.79 51.41 2cqa n ASP 61 Cb 0.61 0.16 0.01 0.00 2.34 0.00 0.00 41.12 44.24 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2cqa n LYS 62 N 0.84 -4.62 -1.61 -0.67 4.76 0.73 -4.85 118.16 112.76 2cqa n LYS 62 Ca 0.12 0.54 -0.45 0.00 -2.87 0.00 0.00 58.31 55.64 2cqa n LYS 62 Cb 0.53 -5.17 -0.02 0.00 -1.84 0.00 0.00 35.03 28.53 2cqa n LYS 62 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2cqa n VAL 63 N -4.48 1.64 -4.36 -0.18 0.31 0.33 -4.97 118.33 106.62 2cqa n VAL 63 Ca -0.12 -0.41 -0.21 0.00 -0.01 0.00 0.00 64.34 63.59 2cqa n VAL 63 Cb 0.59 -1.07 -0.08 0.00 -0.91 0.00 0.00 33.84 32.37 2cqa n VAL 63 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2cqa s GLN 64 N -1.20 1.80 0.46 5.55 -0.21 -1.26 -4.95 119.66 119.85 2cqa s GLN 64 Ca 0.62 -2.06 -0.22 0.00 0.02 0.00 0.00 55.36 53.73 2cqa s GLN 64 Cb -0.72 0.02 -0.08 0.00 1.00 0.00 0.00 33.01 33.24 2cqa s GLN 64 CO 0.57 -0.59 1.09 0.00 -2.12 0.00 0.00 175.29 174.24 2cqa s ALA 65 N -3.40 2.93 0.00 6.09 0.00 -1.26 -3.50 121.76 122.62 2cqa s ALA 65 Ca 0.35 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2cqa s ALA 65 Cb 0.02 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2cqa s ALA 65 CO 0.23 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2cqa n GLY 66 N 0.16 3.08 3.99 0.00 0.00 -0.34 -5.03 105.19 107.05 2cqa n GLY 66 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 2cqa n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqa s ASP 67 N -1.13 5.39 -0.26 1.61 1.11 -1.23 -4.82 116.67 117.34 2cqa s ASP 67 Ca 0.00 -0.23 -0.01 0.00 0.18 0.00 0.00 52.55 52.49 2cqa s ASP 67 Cb 0.00 -0.69 0.03 0.00 1.07 0.00 0.00 42.92 43.33 2cqa s ASP 67 CO 0.00 -1.02 -0.06 -0.69 1.18 0.00 0.00 175.17 174.57 2cqa s VAL 68 N -2.60 2.77 0.39 -1.27 1.01 -1.26 0.80 120.40 120.24 2cqa s VAL 68 Ca 0.57 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2cqa s VAL 68 Cb -0.10 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 2cqa s VAL 68 CO 0.36 0.13 0.01 0.27 0.00 0.00 0.00 175.10 175.87 2cqa s ILE 69 N 1.28 2.17 0.41 2.22 -5.25 -1.09 -2.20 121.20 118.73 2cqa s ILE 69 Ca -0.02 -2.00 0.06 0.00 -0.99 0.00 0.00 60.65 57.70 2cqa s ILE 69 Cb -0.17 -2.90 -0.07 0.00 2.95 0.00 0.00 42.46 42.26 2cqa s ILE 69 CO -0.04 -0.07 0.02 0.42 -1.79 0.00 0.00 174.94 173.48 2cqa s THR 70 N -2.65 1.82 -0.19 8.37 -4.23 0.23 -2.39 115.64 116.59 2cqa s THR 70 Ca 0.35 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2cqa s THR 70 Cb 0.06 -2.90 0.08 0.00 1.34 0.00 0.00 72.50 71.08 2cqa s THR 70 CO 0.18 0.00 0.17 -0.63 -0.54 0.00 0.00 174.62 173.80 2cqa s ILE 71 N -2.80 -0.22 -0.52 2.99 1.01 -0.69 -3.08 121.20 117.88 2cqa s ILE 71 Ca 0.33 -0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 2cqa s ILE 71 Cb 0.09 -0.65 0.04 0.00 0.01 0.00 0.00 42.46 41.96 2cqa s ILE 71 CO 0.16 -0.26 0.81 -0.62 0.00 0.00 0.00 174.94 175.04 2cqa s ASP 72 N 2.24 6.31 0.31 3.58 -1.08 -0.09 -2.48 116.67 125.47 2cqa s ASP 72 Ca 0.05 -0.49 0.11 0.00 -0.52 0.00 0.00 52.55 51.70 2cqa s ASP 72 Cb -0.16 -2.38 0.51 0.00 -1.46 0.00 0.00 42.92 39.43 2cqa s ASP 72 CO -0.12 -1.06 1.70 0.11 0.52 0.00 0.00 175.17 176.32 2cqa h LYS 73 N 9.15 0.00 -0.14 4.34 1.57 -0.89 1.86 116.57 132.46 2cqa h LYS 73 Ca -0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 2cqa h LYS 73 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2cqa h LYS 73 CO 1.02 0.51 0.05 0.00 -0.57 0.00 0.00 179.45 180.46 2cqa h ALA 74 N 1.49 0.18 0.00 3.86 0.00 -1.91 -3.20 119.26 119.68 2cqa h ALA 74 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2cqa h ALA 74 Cb 0.91 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2cqa h ALA 74 CO 0.07 -0.22 -1.23 0.25 0.00 0.00 0.00 179.25 178.11 2cqa n THR 75 N -4.87 0.03 -2.03 0.00 -2.24 -1.19 -4.98 114.28 99.00 2cqa n THR 75 Ca -0.05 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 2cqa n THR 75 Cb 0.13 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 2cqa n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqa n GLY 76 N 1.42 0.27 3.58 3.38 0.00 0.63 -5.01 105.19 109.46 2cqa n GLY 76 Ca 0.02 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 2cqa n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqa s LYS 77 N -4.28 2.10 -0.10 1.61 -0.14 -0.94 -4.52 119.74 113.46 2cqa s LYS 77 Ca 0.00 -1.18 0.01 0.00 -1.36 0.00 0.00 55.97 53.44 2cqa s LYS 77 Cb 0.00 -2.22 -0.02 0.00 -1.68 0.00 0.00 37.83 33.91 2cqa s LYS 77 CO 0.00 0.46 -0.13 0.42 -0.76 0.00 0.00 175.35 175.33 2cqa s ILE 78 N -1.54 3.06 0.12 2.17 1.01 -1.26 -0.92 121.20 123.84 2cqa s ILE 78 Ca 0.24 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.30 2cqa s ILE 78 Cb -0.10 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2cqa s ILE 78 CO 0.15 0.55 -0.24 -0.44 0.00 0.00 0.00 174.94 174.96 2cqa s SER 79 N -0.03 2.94 -0.12 3.58 0.01 -1.18 -4.85 113.70 114.06 2cqa s SER 79 Ca -0.03 -0.73 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 2cqa s SER 79 Cb -0.14 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 2cqa s SER 79 CO 0.04 0.11 0.02 -0.75 0.41 0.00 0.00 173.24 173.07 2cqa s LYS 80 N -2.06 3.33 -0.11 12.44 2.20 -1.26 -0.61 119.74 133.68 2cqa s LYS 80 Ca 0.11 -0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.29 2cqa s LYS 80 Cb -0.10 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 2cqa s LYS 80 CO 0.05 0.55 -0.13 1.28 -0.36 0.00 0.00 175.35 176.75 2cqa n LEU 81 N 2.61 0.99 0.00 5.43 4.77 -0.95 -4.99 117.00 124.86 2cqa n LEU 81 Ca -0.18 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2cqa n LEU 81 Cb 0.53 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2cqa n LEU 81 CO 0.31 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2cqa n GLY 82 N 2.40 1.04 3.28 -0.72 0.00 -0.93 -5.00 105.19 105.25 2cqa n GLY 82 Ca -0.21 -2.22 -0.60 0.00 0.00 0.00 0.00 46.02 43.00 2cqa n GLY 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cqa n ARG 83 N -0.49 0.00 -1.60 1.61 3.00 -1.26 -4.07 116.66 113.85 2cqa n ARG 83 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 2cqa n ARG 83 Cb 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 32.46 31.16 2cqa n ARG 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2cqa n SER 84 N 4.00 0.69 0.24 6.15 2.88 -1.26 -4.95 113.62 121.37 2cqa n SER 84 Ca 0.31 0.84 -0.10 0.00 -1.33 0.00 0.00 58.87 58.59 2cqa n SER 84 Cb -0.05 -1.36 -0.05 0.00 -0.75 0.00 0.00 64.21 62.00 2cqa n SER 84 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2cqa h PHE 85 N 0.68 -0.62 -2.72 0.66 3.57 -2.01 -3.44 116.94 113.06 2cqa h PHE 85 Ca -0.47 -0.01 -0.54 0.00 3.53 0.00 0.00 57.97 60.47 2cqa h PHE 85 Cb 1.36 0.20 0.07 0.00 2.79 0.00 0.00 35.95 40.37 2cqa h PHE 85 CO 0.38 -0.38 0.91 2.41 -2.23 0.00 0.00 178.31 179.40 2cqa n THR 86 N -5.19 0.30 -3.85 4.41 -1.04 -1.26 -4.98 114.28 102.67 2cqa n THR 86 Ca -0.08 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.05 61.49 2cqa n THR 86 Cb 0.26 -1.86 -0.11 0.00 -1.82 0.00 0.00 70.33 66.80 2cqa n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2cqa s ARG 87 N 0.63 3.80 -0.48 -2.82 0.52 -1.26 -5.06 118.95 114.27 2cqa s ARG 87 Ca 0.73 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 55.53 2cqa s ARG 87 Cb -0.55 -3.31 0.13 0.00 0.52 0.00 0.00 34.95 31.74 2cqa s ARG 87 CO 0.38 -0.02 0.25 0.00 0.02 0.00 0.00 175.30 175.93 2cqa s ALA 88 N 1.18 3.25 -1.14 2.13 0.00 -1.26 -5.03 121.76 120.90 2cqa s ALA 88 Ca 0.05 -2.93 -0.12 0.00 0.00 0.00 0.00 51.96 48.95 2cqa s ALA 88 Cb -0.14 -2.31 0.21 0.00 0.00 0.00 0.00 23.12 20.88 2cqa s ALA 88 CO 0.04 -1.92 1.26 0.50 0.00 0.00 0.00 175.76 175.64 2cqa s ARG 89 N 0.37 4.09 0.42 0.00 3.52 -1.26 -5.00 118.95 121.09 2cqa s ARG 89 Ca 0.14 -2.78 0.07 0.00 -0.13 0.00 0.00 55.73 53.03 2cqa s ARG 89 Cb -0.22 -4.82 -0.03 0.00 -1.56 0.00 0.00 34.95 28.31 2cqa s ARG 89 CO -0.04 -1.54 0.31 -1.12 -0.81 0.00 0.00 175.30 172.10 2cqa s SER 90 N 2.25 4.79 0.00 -2.12 0.01 -1.26 -4.96 113.70 112.41 2cqa s SER 90 Ca 0.36 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2cqa s SER 90 Cb -0.06 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2cqa s SER 90 CO -0.04 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2cqa n GLY 91 N -1.44 -1.74 3.56 3.44 0.00 -1.26 -4.71 105.19 103.04 2cqa n GLY 91 Ca 0.02 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 2cqa n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqa s PRO 92 N 0.00 2.54 -0.31 1.61 0.04 -1.26 -4.88 135.00 132.74 2cqa s PRO 92 Ca 0.00 -0.52 -0.01 0.00 0.04 0.00 0.00 61.00 60.52 2cqa s PRO 92 Cb 0.00 -5.11 0.10 0.00 0.04 0.00 0.00 34.50 29.53 2cqa s PRO 92 CO 0.00 -3.53 0.10 0.45 0.04 0.00 0.00 177.00 174.06 2cqa s SER 93 N 7.63 4.07 -0.04 6.66 0.15 -1.26 -5.11 113.70 125.79 2cqa s SER 93 Ca 0.70 -1.68 -0.24 0.00 0.70 0.00 0.00 55.95 55.43 2cqa s SER 93 Cb -0.05 -0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 63.31 2cqa s SER 93 CO 0.03 -0.41 0.73 -0.44 1.20 0.00 0.00 173.24 174.34 2cqa s SER 94 N 1.57 7.05 0.00 5.45 0.01 -1.26 -5.12 113.70 121.40 2cqa s SER 94 Ca 0.10 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.63 2cqa s SER 94 Cb -0.17 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2cqa s SER 94 CO -0.24 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 173.93