#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqa h SER 2 N 0.00 0.43 -1.51 1.61 0.87 -2.14 -3.46 113.55 109.35 2cqa h SER 2 Ca 0.00 -0.93 -0.72 0.00 -1.23 0.00 0.00 61.79 58.91 2cqa h SER 2 Cb 0.00 -0.14 0.04 0.00 -0.44 0.00 0.00 62.40 61.86 2cqa h SER 2 CO 0.00 1.32 0.51 -0.24 -0.53 0.00 0.00 176.83 177.89 2cqa n SER 3 N -4.19 1.53 0.00 6.23 2.88 -1.26 -4.77 113.62 114.04 2cqa n SER 3 Ca -0.13 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2cqa n SER 3 Cb 0.77 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2cqa n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqa n GLY 4 N 2.82 4.03 3.52 0.46 0.00 -1.26 -5.18 105.19 109.58 2cqa n GLY 4 Ca 0.21 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 2cqa n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqa s SER 5 N 0.00 -0.06 -1.00 1.61 0.15 -1.26 -5.09 113.70 108.05 2cqa s SER 5 Ca 0.00 -0.95 -0.23 0.00 0.70 0.00 0.00 55.95 55.46 2cqa s SER 5 Cb 0.00 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 2cqa s SER 5 CO 0.00 -1.08 1.52 -0.94 1.20 0.00 0.00 173.24 173.94 2cqa s SER 6 N -3.02 6.29 0.00 5.45 1.04 -1.26 -4.72 113.70 117.48 2cqa s SER 6 Ca 0.23 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2cqa s SER 6 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2cqa s SER 6 CO 0.08 -1.70 0.00 0.61 0.98 0.00 0.00 173.24 173.21 2cqa n GLY 7 N 6.85 3.02 3.54 7.32 0.00 -1.26 -5.02 105.19 119.64 2cqa n GLY 7 Ca 0.33 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 2cqa n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2cqa n LYS 8 N 0.00 -6.93 -0.66 1.61 4.81 -1.26 -4.87 118.16 110.86 2cqa n LYS 8 Ca 0.00 0.81 -0.11 0.00 -0.87 0.00 0.00 58.31 58.14 2cqa n LYS 8 Cb 0.00 -5.80 0.05 0.00 0.02 0.00 0.00 35.03 29.30 2cqa n LYS 8 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2cqa n GLU 9 N -4.49 1.57 -3.59 1.64 -0.00 -1.26 -4.73 120.64 109.77 2cqa n GLU 9 Ca -0.16 -1.20 -0.19 0.00 -0.00 0.00 0.00 57.16 55.60 2cqa n GLU 9 Cb 0.62 -1.47 -0.15 0.00 -0.00 0.00 0.00 31.44 30.44 2cqa n GLU 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2cqa s GLU 10 N -1.36 0.09 -0.05 3.44 -6.30 -1.26 -5.14 118.70 108.12 2cqa s GLU 10 Ca 0.23 0.29 0.05 0.00 -2.50 0.00 0.00 54.97 53.05 2cqa s GLU 10 Cb 0.19 -0.95 -0.02 0.00 0.00 0.00 0.00 34.13 33.35 2cqa s GLU 10 CO 0.02 -0.51 -0.20 0.99 0.02 0.00 0.00 175.26 175.57 2cqa s THR 11 N 2.27 2.52 -0.33 -1.70 2.01 -1.26 -5.02 115.64 114.13 2cqa s THR 11 Ca 0.04 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.13 2cqa s THR 11 Cb -0.14 -1.94 0.32 0.00 0.01 0.00 0.00 72.50 70.74 2cqa s THR 11 CO -0.09 0.58 1.80 -0.62 -0.69 0.00 0.00 174.62 175.60 2cqa n GLU 12 N 2.57 1.86 -3.88 4.92 -0.58 -1.26 -4.85 120.64 119.42 2cqa n GLU 12 Ca -0.17 -1.83 -0.13 0.00 -0.42 0.00 0.00 57.16 54.61 2cqa n GLU 12 Cb 0.52 -1.72 -0.14 0.00 -0.57 0.00 0.00 31.44 29.53 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2cqa s ILE 13 N -2.39 0.03 -0.04 -3.67 -1.09 -1.26 -1.43 121.20 111.34 2cqa s ILE 13 Ca 0.36 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 2cqa s ILE 13 Cb 0.29 -0.05 0.03 0.00 -1.58 0.00 0.00 42.46 41.14 2cqa s ILE 13 CO 0.03 0.02 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.12 2cqa s ILE 14 N 0.13 0.33 -0.12 2.92 1.01 -0.88 -4.97 121.20 119.61 2cqa s ILE 14 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2cqa s ILE 14 Cb -0.02 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.04 2cqa s ILE 14 CO -0.00 0.20 -0.22 -0.70 0.00 0.00 0.00 174.94 174.21 2cqa s GLU 15 N 1.23 2.95 0.33 2.79 2.12 -1.26 -0.71 118.70 126.15 2cqa s GLU 15 Ca -0.07 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.42 2cqa s GLU 15 Cb -0.13 -2.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 2cqa s GLU 15 CO -0.02 0.06 0.42 0.20 -0.54 0.00 0.00 175.26 175.37 2cqa s GLY 16 N 0.64 1.59 -0.53 -1.50 0.00 -1.12 -4.84 107.32 101.57 2cqa s GLY 16 Ca -0.12 -1.60 -0.22 0.00 0.00 0.00 0.00 44.72 42.78 2cqa s GLY 16 CO 0.02 -1.09 0.80 1.85 0.00 0.00 0.00 173.10 174.68 2cqa s GLU 17 N -3.25 3.24 -0.97 2.90 2.12 -1.25 -2.83 118.70 118.67 2cqa s GLU 17 Ca 0.33 -0.53 -0.27 0.00 0.36 0.00 0.00 54.97 54.85 2cqa s GLU 17 Cb 0.01 -4.07 -0.23 0.00 0.26 0.00 0.00 34.13 30.09 2cqa s GLU 17 CO 0.21 -1.37 2.59 0.28 -0.54 0.00 0.00 175.26 176.42 2cqa n VAL 18 N 5.94 -0.01 -0.06 3.70 0.31 0.43 -3.23 118.33 125.42 2cqa n VAL 18 Ca -0.02 -0.14 -0.05 0.00 -0.01 0.00 0.00 64.34 64.12 2cqa n VAL 18 Cb 0.47 -0.57 -0.04 0.00 -0.91 0.00 0.00 33.84 32.78 2cqa n VAL 18 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2cqa h VAL 19 N 7.81 0.59 -3.36 2.52 2.07 -0.49 0.55 116.25 125.94 2cqa h VAL 19 Ca -0.05 -1.45 -0.13 0.00 0.82 0.00 0.00 66.70 65.89 2cqa h VAL 19 Cb 1.27 1.12 -0.20 0.00 -1.52 0.00 0.00 31.29 31.96 2cqa h VAL 19 CO 1.41 0.20 -0.42 -0.70 0.02 0.00 0.00 177.57 178.08 2cqa s GLU 20 N -1.81 0.55 -0.32 1.57 2.56 -1.15 -4.69 118.70 115.41 2cqa s GLU 20 Ca -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 54.97 54.55 2cqa s GLU 20 Cb -0.01 0.23 0.10 0.00 2.00 0.00 0.00 34.13 36.46 2cqa s GLU 20 CO 0.24 -0.14 0.12 0.42 -0.56 0.00 0.00 175.26 175.34 2cqa s ILE 21 N -1.39 0.79 -0.01 -3.70 1.01 -1.26 -1.01 121.20 115.62 2cqa s ILE 21 Ca -0.14 -1.44 -0.16 0.00 0.00 0.00 0.00 60.65 58.91 2cqa s ILE 21 Cb -0.07 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.75 2cqa s ILE 21 CO 0.02 -0.71 0.45 -1.58 0.00 0.00 0.00 174.94 173.12 2cqa s GLN 22 N 1.55 4.05 -0.13 2.79 0.74 0.89 -4.95 119.66 124.59 2cqa s GLN 22 Ca 0.11 0.47 -0.00 0.00 0.05 0.00 0.00 55.36 55.98 2cqa s GLN 22 Cb -0.18 -3.26 0.03 0.00 1.10 0.00 0.00 33.01 30.69 2cqa s GLN 22 CO -0.23 0.58 -0.09 0.42 -0.55 0.00 0.00 175.29 175.42 2cqa s ILE 23 N -0.77 1.21 -0.03 -2.34 -1.09 -1.26 -0.30 121.20 116.61 2cqa s ILE 23 Ca 0.25 -0.44 -0.22 0.00 -2.23 0.00 0.00 60.65 58.02 2cqa s ILE 23 Cb -0.17 -1.21 -0.05 0.00 -1.58 0.00 0.00 42.46 39.46 2cqa s ILE 23 CO 0.14 0.37 0.63 -0.62 -1.23 0.00 0.00 174.94 174.22 2cqa s ASP 24 N 1.63 6.97 0.41 3.58 2.15 -0.59 -5.02 116.67 125.80 2cqa s ASP 24 Ca 0.04 1.16 -0.09 0.00 0.43 0.00 0.00 52.55 54.10 2cqa s ASP 24 Cb -0.13 -2.38 -0.06 0.00 -0.30 0.00 0.00 42.92 40.05 2cqa s ASP 24 CO -0.09 0.02 0.75 -0.13 -0.17 0.00 0.00 175.17 175.55 2cqa s ARG 25 N 0.20 3.72 0.00 4.34 0.52 -1.26 -4.32 118.95 122.14 2cqa s ARG 25 Ca 0.33 0.36 0.15 0.00 -0.52 0.00 0.00 55.73 56.05 2cqa s ARG 25 Cb -0.18 -2.42 0.70 0.00 0.52 0.00 0.00 34.95 33.57 2cqa s ARG 25 CO 0.17 -0.04 1.42 -0.35 0.02 0.00 0.00 175.30 176.52 2cqa n PRO 26 N -1.43 0.14 -0.27 3.54 -0.04 -1.26 -3.83 135.00 131.85 2cqa n PRO 26 Ca 0.02 0.18 0.17 0.00 -0.04 0.00 0.00 63.50 63.83 2cqa n PRO 26 Cb 0.54 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.83 2cqa n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqa n ALA 27 N -1.35 0.57 -3.56 0.55 0.00 -1.26 -4.45 120.51 111.01 2cqa n ALA 27 Ca 0.06 0.83 -0.14 0.00 0.00 0.00 0.00 53.44 54.19 2cqa n ALA 27 Cb 0.13 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 2cqa n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2cqa s THR 28 N -5.51 0.00 0.00 0.00 2.01 -1.25 -5.10 115.64 105.79 2cqa s THR 28 Ca -0.09 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2cqa s THR 28 Cb 0.25 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.83 2cqa s THR 28 CO 0.62 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 2cqa n GLY 29 N 2.46 0.55 0.89 4.40 0.00 -1.26 -4.91 105.19 107.32 2cqa n GLY 29 Ca -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2cqa n GLY 29 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cqa n THR 30 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -5.10 114.28 108.29 2cqa n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2cqa n THR 30 Cb 0.00 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 2cqa n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqa n GLY 31 N 2.98 2.77 3.67 3.38 0.00 -1.26 -5.10 105.19 111.63 2cqa n GLY 31 Ca 0.00 -0.44 -0.54 0.00 0.00 0.00 0.00 46.02 45.04 2cqa n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqa n SER 32 N 0.00 2.39 -4.68 1.61 7.64 -1.26 -4.78 113.62 114.55 2cqa n SER 32 Ca 0.00 1.07 -0.55 0.00 1.01 0.00 0.00 58.87 60.40 2cqa n SER 32 Cb 0.00 -1.21 -0.07 0.00 -1.01 0.00 0.00 64.21 61.93 2cqa n SER 32 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cqa n LYS 33 N 4.67 1.22 -4.44 1.43 5.02 -1.26 -4.96 118.16 119.84 2cqa n LYS 33 Ca 0.23 0.45 -0.20 0.00 -2.02 0.00 0.00 58.31 56.77 2cqa n LYS 33 Cb 0.18 -2.13 -0.15 0.00 -0.02 0.00 0.00 35.03 32.91 2cqa n LYS 33 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2cqa s VAL 34 N 2.75 0.81 0.24 -0.18 -7.23 -1.26 -3.64 120.40 111.90 2cqa s VAL 34 Ca 0.94 -0.44 -0.05 0.00 -1.81 0.00 0.00 61.98 60.63 2cqa s VAL 34 Cb -1.02 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 2cqa s VAL 34 CO 0.60 0.23 0.30 -0.83 -0.31 0.00 0.00 175.10 175.09 2cqa s GLY 35 N -0.22 1.20 -0.10 2.32 0.00 -0.84 -1.54 107.32 108.14 2cqa s GLY 35 Ca 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.33 2cqa s GLY 35 CO -0.00 -1.09 -0.09 0.54 0.00 0.00 0.00 173.10 172.45 2cqa s LYS 36 N -3.92 1.63 -0.04 2.90 1.02 0.58 -1.26 119.74 120.65 2cqa s LYS 36 Ca 0.32 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 56.03 2cqa s LYS 36 Cb 0.03 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 2cqa s LYS 36 CO 0.13 -0.19 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.08 2cqa s LEU 37 N 1.43 2.87 -0.09 3.17 2.96 -0.63 -0.07 118.68 128.32 2cqa s LEU 37 Ca 0.00 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2cqa s LEU 37 Cb -0.13 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2cqa s LEU 37 CO -0.06 0.34 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.21 2cqa s THR 38 N -0.79 1.81 -0.02 3.68 2.01 -0.18 0.07 115.64 122.23 2cqa s THR 38 Ca 0.12 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2cqa s THR 38 Cb -0.11 -1.58 -0.00 0.00 0.01 0.00 0.00 72.50 70.82 2cqa s THR 38 CO 0.02 0.51 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.60 2cqa s LEU 39 N 0.37 1.89 -0.64 4.42 1.02 -1.10 0.28 118.68 124.91 2cqa s LEU 39 Ca -0.16 -0.18 -0.21 0.00 0.02 0.00 0.00 54.13 53.60 2cqa s LEU 39 Cb -0.17 -0.51 0.08 0.00 0.02 0.00 0.00 46.19 45.61 2cqa s LEU 39 CO 0.07 0.09 0.89 -0.75 0.02 0.00 0.00 176.35 176.66 2cqa s LYS 40 N 0.01 3.10 -0.04 1.70 2.20 -1.20 -1.38 119.74 124.14 2cqa s LYS 40 Ca -0.00 -1.01 0.04 0.00 -0.36 0.00 0.00 55.97 54.64 2cqa s LYS 40 Cb -0.06 -4.26 -0.00 0.00 -1.51 0.00 0.00 37.83 32.00 2cqa s LYS 40 CO 0.00 -1.73 -0.16 0.95 -0.36 0.00 0.00 175.35 174.05 2cqa s THR 41 N 3.60 1.32 -0.97 3.43 -4.23 0.27 -3.77 115.64 115.29 2cqa s THR 41 Ca 0.19 -0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 60.02 2cqa s THR 41 Cb -0.19 -1.14 -0.03 0.00 1.34 0.00 0.00 72.50 72.48 2cqa s THR 41 CO 0.08 0.38 0.83 0.41 -0.54 0.00 0.00 174.62 175.79 2cqa n THR 42 N 3.16 -6.58 -1.86 3.99 -1.04 -1.26 -2.19 114.28 108.50 2cqa n THR 42 Ca -0.18 -0.79 -0.09 0.00 -2.04 0.00 0.00 64.05 60.96 2cqa n THR 42 Cb 0.53 -5.33 -0.02 0.00 -1.82 0.00 0.00 70.33 63.69 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 -3.35 -1.83 -3.68 -2.82 4.71 -1.26 -4.87 120.64 107.54 2cqa n GLU 43 Ca -0.16 0.46 -0.14 0.00 -0.01 0.00 0.00 57.16 57.31 2cqa n GLU 43 Cb 0.63 -4.83 -0.08 0.00 -1.01 0.00 0.00 31.44 26.15 2cqa n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2cqa s MET 44 N -3.88 0.71 -0.11 3.49 0.23 -0.93 -5.16 119.30 113.65 2cqa s MET 44 Ca 0.00 0.35 -0.08 0.00 -1.03 0.00 0.00 55.69 54.93 2cqa s MET 44 Cb 0.00 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.59 2cqa s MET 44 CO 0.00 -0.16 0.16 -1.21 -2.03 0.00 0.00 175.02 171.78 2cqa s GLU 45 N -0.50 3.47 -0.04 3.16 2.02 -1.26 0.94 118.70 126.50 2cqa s GLU 45 Ca -0.06 -0.09 0.03 0.00 0.02 0.00 0.00 54.97 54.86 2cqa s GLU 45 Cb -0.03 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.01 2cqa s GLU 45 CO 0.04 0.77 -0.11 0.99 0.02 0.00 0.00 175.26 176.97 2cqa s THR 46 N -1.04 0.96 0.22 3.63 2.01 -0.48 -4.95 115.64 116.00 2cqa s THR 46 Ca 0.16 -0.44 -0.24 0.00 0.31 0.00 0.00 61.69 61.47 2cqa s THR 46 Cb -0.12 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.45 2cqa s THR 46 CO 0.05 0.29 0.81 -0.63 -0.69 0.00 0.00 174.62 174.45 2cqa s ILE 47 N 0.25 4.37 -0.06 1.82 1.01 -1.26 -2.73 121.20 124.60 2cqa s ILE 47 Ca -0.05 1.64 0.03 0.00 0.00 0.00 0.00 60.65 62.27 2cqa s ILE 47 Cb -0.10 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.32 2cqa s ILE 47 CO 0.01 0.35 -0.15 -0.31 0.00 0.00 0.00 174.94 174.84 2cqa s TYR 48 N -1.36 1.62 -0.19 3.97 2.02 0.11 -4.98 117.35 118.56 2cqa s TYR 48 Ca 0.41 -0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 56.28 2cqa s TYR 48 Cb -0.21 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.23 2cqa s TYR 48 CO 0.25 -0.23 1.03 0.34 -1.57 0.00 0.00 175.55 175.37 2cqa s ASP 49 N 0.33 7.15 -0.22 2.29 -1.08 -1.26 -1.61 116.67 122.27 2cqa s ASP 49 Ca -0.09 1.43 -0.10 0.00 -0.52 0.00 0.00 52.55 53.26 2cqa s ASP 49 Cb -0.14 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.73 2cqa s ASP 49 CO 0.03 -0.60 0.15 -0.76 0.52 0.00 0.00 175.17 174.52 2cqa s LEU 50 N 2.80 4.17 0.00 -1.34 1.43 -0.39 -4.99 118.68 120.37 2cqa s LEU 50 Ca 0.46 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 2cqa s LEU 50 Cb -0.16 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2cqa s LEU 50 CO 0.10 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.41 2cqa n GLY 51 N 3.84 0.78 0.00 -3.19 0.00 -1.26 -1.98 105.19 103.38 2cqa n GLY 51 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 2cqa n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cqa n THR 52 N 0.00 0.00 -0.03 2.61 -1.04 -1.24 -4.15 114.28 110.43 2cqa n THR 52 Ca 0.00 -0.23 -0.06 0.00 -2.04 0.00 0.00 64.05 61.72 2cqa n THR 52 Cb 0.00 0.29 -0.14 0.00 -1.82 0.00 0.00 70.33 68.66 2cqa n THR 52 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2cqa n LYS 53 N -1.83 0.65 0.06 -2.82 5.02 -1.26 -3.88 118.16 114.10 2cqa n LYS 53 Ca -0.02 0.14 -0.05 0.00 -2.02 0.00 0.00 58.31 56.37 2cqa n LYS 53 Cb 0.26 -1.68 0.16 0.00 -0.02 0.00 0.00 35.03 33.74 2cqa n LYS 53 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2cqa h MET 54 N 0.00 0.34 -0.03 1.97 2.86 -1.81 -3.22 114.93 115.05 2cqa h MET 54 Ca -0.33 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 2cqa h MET 54 Cb 1.92 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.59 2cqa h MET 54 CO 0.05 0.74 -0.02 0.82 1.06 0.00 0.00 176.91 179.56 2cqa h ILE 55 N 0.28 1.36 -1.25 -1.22 2.04 -1.77 -3.05 117.51 113.90 2cqa h ILE 55 Ca 0.02 -1.11 0.36 0.00 1.00 0.00 0.00 64.86 65.13 2cqa h ILE 55 Cb 0.93 2.05 -0.09 0.00 -0.74 0.00 0.00 36.82 38.97 2cqa h ILE 55 CO 0.08 0.30 0.85 -0.33 0.00 0.00 0.00 178.15 179.04 2cqa h GLU 56 N -0.37 0.15 -0.28 2.37 5.08 -1.66 0.64 114.58 120.50 2cqa h GLU 56 Ca 0.01 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2cqa h GLU 56 Cb 0.49 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2cqa h GLU 56 CO 0.01 0.10 -0.57 0.77 -1.00 0.00 0.00 179.01 178.32 2cqa h SER 57 N 0.15 0.99 1.07 1.42 0.02 -1.57 -0.83 113.55 114.80 2cqa h SER 57 Ca 0.68 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2cqa h SER 57 Cb 2.24 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.50 2cqa h SER 57 CO -0.21 1.34 0.00 -0.07 -1.14 0.00 0.00 176.83 176.76 2cqa h LEU 58 N 0.67 0.00 0.00 5.07 3.38 0.27 -3.07 115.31 121.62 2cqa h LEU 58 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2cqa h LEU 58 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2cqa h LEU 58 CO 0.13 0.00 -0.92 0.71 0.09 0.00 0.00 178.44 178.44 2cqa h THR 59 N 0.00 0.66 -1.07 0.22 1.35 -0.96 0.30 112.91 113.42 2cqa h THR 59 Ca 0.00 -1.80 0.29 0.00 -0.55 0.00 0.00 66.41 64.35 2cqa h THR 59 Cb 0.53 1.55 -0.08 0.00 -1.73 0.00 0.00 68.15 68.42 2cqa h THR 59 CO 0.00 0.22 0.71 0.50 -0.25 0.00 0.00 175.52 176.71 2cqa h LYS 60 N -1.00 0.26 -0.18 4.72 3.11 -1.20 0.35 116.57 122.63 2cqa h LYS 60 Ca -0.21 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 2cqa h LYS 60 Cb 1.01 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 2cqa h LYS 60 CO -0.13 0.17 0.00 -0.25 -2.81 0.00 0.00 179.45 176.43 2cqa n ASP 61 N -4.49 2.37 -4.30 4.20 8.00 -1.16 -4.99 116.55 116.17 2cqa n ASP 61 Ca 0.25 -1.75 -0.34 0.00 0.71 0.00 0.00 54.79 53.66 2cqa n ASP 61 Cb 0.98 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.90 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2cqa n LYS 62 N 0.42 -1.67 -1.67 -1.24 4.01 0.12 -4.78 118.16 113.36 2cqa n LYS 62 Ca 0.08 0.21 -0.47 0.00 -0.51 0.00 0.00 58.31 57.62 2cqa n LYS 62 Cb 0.33 -4.31 -0.04 0.00 -0.51 0.00 0.00 35.03 30.49 2cqa n LYS 62 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2cqa n VAL 63 N -4.38 0.22 -4.61 -0.18 0.31 0.92 -4.97 118.33 105.63 2cqa n VAL 63 Ca -0.14 -0.04 -0.28 0.00 -0.01 0.00 0.00 64.34 63.88 2cqa n VAL 63 Cb 0.59 -1.67 -0.09 0.00 -0.91 0.00 0.00 33.84 31.76 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 2.07 1.98 0.69 5.55 -1.52 -1.26 -4.94 119.66 122.23 2cqa s GLN 64 Ca 0.84 -2.19 -0.16 0.00 -1.95 0.00 0.00 55.36 51.89 2cqa s GLN 64 Cb -0.68 -1.21 0.01 0.00 -0.22 0.00 0.00 33.01 30.92 2cqa s GLN 64 CO 0.43 -0.29 1.21 0.00 -0.25 0.00 0.00 175.29 176.39 2cqa s ALA 65 N -3.00 2.27 0.00 6.09 0.00 -1.26 -3.23 121.76 122.63 2cqa s ALA 65 Ca 0.22 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2cqa s ALA 65 Cb 0.05 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2cqa s ALA 65 CO 0.11 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.64 2cqa n GLY 66 N 0.42 2.92 3.93 0.00 0.00 0.18 -5.01 105.19 107.64 2cqa n GLY 66 Ca 0.14 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 0.76 4.45 -0.20 1.61 1.01 -1.20 -4.79 116.67 118.31 2cqa s ASP 67 Ca 0.00 0.39 -0.01 0.00 0.71 0.00 0.00 52.55 53.64 2cqa s ASP 67 Cb 0.00 -0.89 0.01 0.00 1.01 0.00 0.00 42.92 43.05 2cqa s ASP 67 CO 0.00 -1.85 -0.14 -0.69 0.21 0.00 0.00 175.17 172.70 2cqa s VAL 68 N -3.39 2.60 0.16 -1.27 1.01 -0.07 -0.43 120.40 119.02 2cqa s VAL 68 Ca 0.63 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.93 2cqa s VAL 68 Cb -0.09 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2cqa s VAL 68 CO 0.47 0.49 -0.16 0.27 0.00 0.00 0.00 175.10 176.17 2cqa s ILE 69 N 1.35 1.62 0.41 2.22 -5.25 -1.13 -2.58 121.20 117.83 2cqa s ILE 69 Ca 0.05 -1.93 0.08 0.00 -0.99 0.00 0.00 60.65 57.86 2cqa s ILE 69 Cb -0.14 -1.79 -0.02 0.00 2.95 0.00 0.00 42.46 43.46 2cqa s ILE 69 CO -0.09 -0.43 0.36 0.42 -1.79 0.00 0.00 174.94 173.41 2cqa s THR 70 N -2.34 2.74 -0.09 8.37 -4.23 0.26 -2.79 115.64 117.55 2cqa s THR 70 Ca 0.15 -1.36 -0.03 0.00 -1.18 0.00 0.00 61.69 59.27 2cqa s THR 70 Cb -0.04 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.83 2cqa s THR 70 CO 0.05 -0.02 0.09 -0.63 -0.54 0.00 0.00 174.62 173.57 2cqa s ILE 71 N -2.46 -0.14 -0.51 2.99 1.01 0.11 -3.18 121.20 119.03 2cqa s ILE 71 Ca 0.47 0.21 -0.19 0.00 0.00 0.00 0.00 60.65 61.14 2cqa s ILE 71 Cb -0.03 -0.33 0.06 0.00 0.01 0.00 0.00 42.46 42.17 2cqa s ILE 71 CO 0.27 0.01 0.61 -0.62 0.00 0.00 0.00 174.94 175.22 2cqa s ASP 72 N 2.19 6.22 0.47 3.58 -1.08 0.97 -2.08 116.67 126.94 2cqa s ASP 72 Ca 0.04 -0.95 0.27 0.00 -0.52 0.00 0.00 52.55 51.39 2cqa s ASP 72 Cb -0.13 -2.28 0.82 0.00 -1.46 0.00 0.00 42.92 39.86 2cqa s ASP 72 CO -0.06 -0.88 1.78 0.11 0.52 0.00 0.00 175.17 176.64 2cqa h LYS 73 N 8.98 0.00 0.01 4.34 1.57 -1.53 1.40 116.57 131.34 2cqa h LYS 73 Ca -0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2cqa h LYS 73 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2cqa h LYS 73 CO 0.96 0.09 -0.00 0.00 -0.57 0.00 0.00 179.45 179.93 2cqa h ALA 74 N 1.91 -0.01 0.00 3.86 0.00 -1.91 -3.33 119.26 119.79 2cqa h ALA 74 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2cqa h ALA 74 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2cqa h ALA 74 CO 0.01 -0.37 -1.54 -2.37 0.00 0.00 0.00 179.25 174.98 2cqa n THR 75 N -4.96 0.00 -1.54 0.00 5.66 -1.22 -5.00 114.28 107.20 2cqa n THR 75 Ca -0.08 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2cqa n THR 75 Cb 0.15 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 2cqa n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cqa n GLY 76 N 1.58 0.49 3.69 1.09 0.00 0.48 -5.06 105.19 107.46 2cqa n GLY 76 Ca -0.02 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.15 2.51 0.00 1.61 1.02 -0.94 -4.28 119.74 116.51 2cqa s LYS 77 Ca 0.00 -1.09 0.08 0.00 0.02 0.00 0.00 55.97 54.98 2cqa s LYS 77 Cb 0.00 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2cqa s LYS 77 CO 0.00 0.45 -0.25 0.42 -0.92 0.00 0.00 175.35 175.05 2cqa s ILE 78 N -1.81 2.17 0.11 2.17 1.01 -1.26 -0.02 121.20 123.57 2cqa s ILE 78 Ca 0.29 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 59.81 2cqa s ILE 78 Cb -0.09 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2cqa s ILE 78 CO 0.20 0.49 -0.16 -0.44 0.00 0.00 0.00 174.94 175.03 2cqa s SER 79 N -0.88 2.11 -0.12 3.58 0.01 -1.19 -4.91 113.70 112.29 2cqa s SER 79 Ca 0.11 -0.76 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 2cqa s SER 79 Cb -0.10 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2cqa s SER 79 CO 0.00 -0.08 0.10 -0.75 0.41 0.00 0.00 173.24 172.93 2cqa s LYS 80 N -2.36 3.43 -0.04 12.44 2.20 -1.26 -0.58 119.74 133.57 2cqa s LYS 80 Ca 0.07 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 2cqa s LYS 80 Cb -0.07 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 2cqa s LYS 80 CO 0.04 0.69 -0.03 1.28 -0.36 0.00 0.00 175.35 176.97 2cqa n LEU 81 N 2.24 2.29 0.00 5.43 4.32 -1.07 -4.98 117.00 125.24 2cqa n LEU 81 Ca -0.19 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 2cqa n LEU 81 Cb 0.54 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 2cqa n LEU 81 CO 0.31 0.46 0.00 0.61 -1.22 0.00 0.00 177.39 177.55 2cqa n GLY 82 N 3.18 1.52 3.78 -0.72 0.00 -1.11 -5.03 105.19 106.81 2cqa n GLY 82 Ca -0.07 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 2cqa n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cqa s ARG 83 N 0.00 2.19 0.20 1.61 3.00 -1.26 -0.89 118.95 123.80 2cqa s ARG 83 Ca 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 55.73 53.46 2cqa s ARG 83 Cb 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 34.95 33.16 2cqa s ARG 83 CO 0.00 -0.34 0.43 0.45 0.00 0.00 0.00 175.30 175.84 2cqa s SER 84 N -3.97 -0.11 -0.50 0.23 0.15 -1.26 -4.93 113.70 103.30 2cqa s SER 84 Ca 0.24 -0.74 -0.08 0.00 0.70 0.00 0.00 55.95 56.08 2cqa s SER 84 Cb 0.02 0.53 0.13 0.00 -1.71 0.00 0.00 66.02 64.99 2cqa s SER 84 CO 0.14 -1.02 0.37 -0.36 1.20 0.00 0.00 173.24 173.56 2cqa s PHE 85 N -3.95 3.46 -0.09 3.44 0.08 -1.26 -5.07 117.98 114.60 2cqa s PHE 85 Ca 0.15 -2.03 -0.14 0.00 0.12 0.00 0.00 56.93 55.04 2cqa s PHE 85 Cb 0.01 -3.46 -0.05 0.00 -0.57 0.00 0.00 43.02 38.94 2cqa s PHE 85 CO 0.01 -0.98 0.34 0.99 -0.10 0.00 0.00 175.22 175.48 2cqa s THR 86 N 1.11 5.22 -0.34 0.64 2.01 -1.26 -5.06 115.64 117.96 2cqa s THR 86 Ca 0.08 0.66 -0.20 0.00 0.31 0.00 0.00 61.69 62.54 2cqa s THR 86 Cb -0.24 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 2cqa s THR 86 CO -0.02 0.48 0.60 -0.13 -0.69 0.00 0.00 174.62 174.86 2cqa s ARG 87 N -0.25 3.70 0.16 4.92 0.52 -1.26 -5.05 118.95 121.68 2cqa s ARG 87 Ca 0.20 0.03 0.10 0.00 -0.52 0.00 0.00 55.73 55.54 2cqa s ARG 87 Cb -0.14 -3.79 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 2cqa s ARG 87 CO 0.08 -0.68 -0.21 0.00 0.02 0.00 0.00 175.30 174.51 2cqa s ALA 88 N 2.59 2.60 -0.09 2.13 0.00 -1.26 -5.07 121.76 122.68 2cqa s ALA 88 Ca 0.23 -1.50 -0.22 0.00 0.00 0.00 0.00 51.96 50.47 2cqa s ALA 88 Cb -0.15 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2cqa s ALA 88 CO 0.14 0.50 0.62 1.03 0.00 0.00 0.00 175.76 178.05 2cqa s ARG 89 N -2.42 4.40 0.05 0.00 3.00 -1.26 -4.94 118.95 117.78 2cqa s ARG 89 Ca 0.19 0.73 -0.00 0.00 0.00 0.00 0.00 55.73 56.65 2cqa s ARG 89 Cb -0.09 -3.45 -0.00 0.00 0.00 0.00 0.00 34.95 31.41 2cqa s ARG 89 CO 0.10 0.09 -0.01 0.43 0.00 0.00 0.00 175.30 175.91 2cqa n SER 90 N 3.77 0.66 0.00 0.23 7.64 -1.26 -5.12 113.62 119.54 2cqa n SER 90 Ca -0.03 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2cqa n SER 90 Cb 0.51 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2cqa n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqa n GLY 91 N 3.26 1.77 3.60 0.23 0.00 -1.26 -5.03 105.19 107.76 2cqa n GLY 91 Ca -0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 3.47 0.02 1.61 0.04 -1.26 -4.99 135.00 133.89 2cqa s PRO 92 Ca 0.00 1.37 -0.22 0.00 0.04 0.00 0.00 61.00 62.19 2cqa s PRO 92 Cb 0.00 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 2cqa s PRO 92 CO 0.00 -1.69 0.67 -1.54 0.04 0.00 0.00 177.00 174.48 2cqa s SER 93 N 5.29 7.08 0.00 6.66 1.04 -1.26 -4.95 113.70 127.56 2cqa s SER 93 Ca 0.75 1.29 0.00 0.00 0.48 0.00 0.00 55.95 58.46 2cqa s SER 93 Cb -0.21 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2cqa s SER 93 CO 0.33 0.07 0.00 -1.20 0.98 0.00 0.00 173.24 173.42 2cqa n SER 94 N 2.74 1.57 0.00 7.02 7.64 -1.26 -5.29 113.62 126.04 2cqa n SER 94 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2cqa n SER 94 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2cqa n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64