#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqa n SER 2 N 0.00 -1.33 -4.94 1.61 2.88 -1.26 -4.91 113.62 105.68 2cqa n SER 2 Ca 0.00 -1.23 -0.21 0.00 -1.33 0.00 0.00 58.87 56.10 2cqa n SER 2 Cb 0.00 -1.73 -0.02 0.00 -0.75 0.00 0.00 64.21 61.71 2cqa n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cqa s SER 3 N -3.52 6.07 0.00 -3.46 1.04 -1.26 -5.05 113.70 107.52 2cqa s SER 3 Ca 0.64 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2cqa s SER 3 Cb -0.37 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.09 2cqa s SER 3 CO 1.01 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.73 2cqa n GLY 4 N -1.38 3.07 3.60 7.32 0.00 -1.26 -5.15 105.19 111.39 2cqa n GLY 4 Ca -0.08 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.33 1.06 1.61 0.15 -1.26 -5.17 113.70 109.76 2cqa s SER 5 Ca 0.00 0.46 -0.15 0.00 0.70 0.00 0.00 55.95 56.96 2cqa s SER 5 Cb 0.00 0.40 0.18 0.00 -1.71 0.00 0.00 66.02 64.89 2cqa s SER 5 CO 0.00 -0.24 0.34 -0.24 1.20 0.00 0.00 173.24 174.31 2cqa n SER 6 N 1.14 -3.06 -1.64 5.45 2.88 -1.26 -4.77 113.62 112.36 2cqa n SER 6 Ca -0.10 -0.41 -0.07 0.00 -1.33 0.00 0.00 58.87 56.96 2cqa n SER 6 Cb 0.57 -0.80 0.02 0.00 -0.75 0.00 0.00 64.21 63.25 2cqa n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqa n GLY 7 N 2.36 3.18 3.04 0.46 0.00 -1.26 -4.80 105.19 108.17 2cqa n GLY 7 Ca 0.06 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.83 1.96 -0.97 1.61 1.02 -1.26 -5.08 119.74 116.19 2cqa s LYS 8 Ca 0.14 -0.49 -0.04 0.00 0.02 0.00 0.00 55.97 55.61 2cqa s LYS 8 Cb 0.11 -1.64 0.25 0.00 -0.52 0.00 0.00 37.83 36.02 2cqa s LYS 8 CO 0.00 -0.01 0.93 0.39 -0.92 0.00 0.00 175.35 175.74 2cqa n GLU 9 N 4.00 3.03 -3.29 1.68 1.02 -1.26 -5.04 120.64 120.77 2cqa n GLU 9 Ca -0.21 -4.48 -0.38 0.00 -0.02 0.00 0.00 57.16 52.07 2cqa n GLU 9 Cb 0.52 -2.46 -0.06 0.00 -0.02 0.00 0.00 31.44 29.42 2cqa n GLU 9 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2cqa s GLU 10 N -1.47 4.29 0.08 3.49 2.12 -1.26 -5.08 118.70 120.87 2cqa s GLU 10 Ca 0.29 0.55 0.08 0.00 0.36 0.00 0.00 54.97 56.25 2cqa s GLU 10 Cb -0.07 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 2cqa s GLU 10 CO -0.10 0.27 -0.20 0.95 -0.54 0.00 0.00 175.26 175.64 2cqa s THR 11 N 0.23 1.62 -0.46 -1.70 -4.23 -1.26 -5.03 115.64 104.81 2cqa s THR 11 Ca 0.28 -1.41 -0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2cqa s THR 11 Cb -0.16 -1.46 0.39 0.00 1.34 0.00 0.00 72.50 72.60 2cqa s THR 11 CO 0.13 -0.01 1.94 -0.62 -0.54 0.00 0.00 174.62 175.52 2cqa n GLU 12 N 1.33 2.19 -4.16 3.99 4.71 -1.26 -4.90 120.64 122.54 2cqa n GLU 12 Ca -0.19 -2.44 -0.16 0.00 -0.01 0.00 0.00 57.16 54.36 2cqa n GLU 12 Cb 0.54 -1.96 -0.13 0.00 -1.01 0.00 0.00 31.44 28.88 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 -3.35 0.65 -0.13 -3.67 -1.09 -1.26 -1.22 121.20 111.13 2cqa s ILE 13 Ca 0.48 -0.81 -0.06 0.00 -2.23 0.00 0.00 60.65 58.02 2cqa s ILE 13 Cb 0.38 -0.63 0.05 0.00 -1.58 0.00 0.00 42.46 40.68 2cqa s ILE 13 CO 0.02 -0.14 0.29 -0.63 -1.23 0.00 0.00 174.94 173.25 2cqa s ILE 14 N -0.88 -0.08 -0.12 2.92 1.01 -0.97 -4.97 121.20 118.11 2cqa s ILE 14 Ca -0.04 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2cqa s ILE 14 Cb -0.07 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 2cqa s ILE 14 CO 0.00 0.06 -0.16 -0.70 0.00 0.00 0.00 174.94 174.14 2cqa s GLU 15 N 1.41 3.29 0.10 2.79 2.12 -1.26 -1.32 118.70 125.82 2cqa s GLU 15 Ca -0.08 -0.74 -0.12 0.00 0.36 0.00 0.00 54.97 54.38 2cqa s GLU 15 Cb -0.10 -2.53 0.01 0.00 0.26 0.00 0.00 34.13 31.77 2cqa s GLU 15 CO -0.10 0.20 0.28 0.20 -0.54 0.00 0.00 175.26 175.30 2cqa s GLY 16 N 0.35 -0.06 -0.62 -1.50 0.00 -1.22 -4.99 107.32 99.28 2cqa s GLY 16 Ca -0.13 -0.38 -0.27 0.00 0.00 0.00 0.00 44.72 43.94 2cqa s GLY 16 CO 0.07 -0.59 1.19 1.85 0.00 0.00 0.00 173.10 175.61 2cqa s GLU 17 N -3.80 3.41 -0.07 2.90 2.12 -1.24 -2.88 118.70 119.13 2cqa s GLU 17 Ca 0.04 0.06 -0.40 0.00 0.36 0.00 0.00 54.97 55.03 2cqa s GLU 17 Cb 0.03 -4.06 -0.19 0.00 0.26 0.00 0.00 34.13 30.17 2cqa s GLU 17 CO -0.11 -1.79 1.27 0.28 -0.54 0.00 0.00 175.26 174.37 2cqa n VAL 18 N 6.55 0.02 -0.06 3.70 0.31 0.24 -1.38 118.33 127.70 2cqa n VAL 18 Ca 0.06 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 2cqa n VAL 18 Cb 0.49 -0.39 -0.05 0.00 -0.91 0.00 0.00 33.84 32.99 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 2.38 0.68 -3.75 2.52 0.31 0.18 -1.99 118.33 118.66 2cqa n VAL 19 Ca 0.22 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 2cqa n VAL 19 Cb 0.09 -1.62 -0.11 0.00 -0.91 0.00 0.00 33.84 31.29 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 -2.23 0.34 -0.39 5.55 2.12 -1.04 -4.79 118.70 118.27 2cqa s GLU 20 Ca -0.17 0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.67 2cqa s GLU 20 Cb 0.07 0.11 0.12 0.00 0.26 0.00 0.00 34.13 34.68 2cqa s GLU 20 CO 0.22 -0.07 0.15 0.42 -0.54 0.00 0.00 175.26 175.44 2cqa s ILE 21 N 0.47 1.67 0.26 -3.70 1.01 -1.26 -0.83 121.20 118.82 2cqa s ILE 21 Ca -0.02 -2.30 -0.17 0.00 0.00 0.00 0.00 60.65 58.16 2cqa s ILE 21 Cb -0.04 -2.21 -0.08 0.00 0.01 0.00 0.00 42.46 40.14 2cqa s ILE 21 CO -0.02 -0.74 0.70 -1.58 0.00 0.00 0.00 174.94 173.29 2cqa s GLN 22 N 0.74 4.09 -0.05 2.79 0.74 0.12 -4.94 119.66 123.16 2cqa s GLN 22 Ca 0.14 0.71 -0.02 0.00 0.05 0.00 0.00 55.36 56.24 2cqa s GLN 22 Cb -0.21 -2.68 0.03 0.00 1.10 0.00 0.00 33.01 31.24 2cqa s GLN 22 CO -0.09 0.30 0.04 0.42 -0.55 0.00 0.00 175.29 175.41 2cqa s ILE 23 N -1.73 0.06 -0.32 -2.34 -1.09 -1.26 -1.54 121.20 112.98 2cqa s ILE 23 Ca 0.47 0.30 -0.17 0.00 -2.23 0.00 0.00 60.65 59.03 2cqa s ILE 23 Cb -0.13 -0.27 -0.01 0.00 -1.58 0.00 0.00 42.46 40.46 2cqa s ILE 23 CO 0.19 0.20 0.47 -0.62 -1.23 0.00 0.00 174.94 173.95 2cqa s ASP 24 N 1.98 6.30 0.56 3.58 2.15 0.87 -4.99 116.67 127.12 2cqa s ASP 24 Ca 0.03 0.08 -0.17 0.00 0.43 0.00 0.00 52.55 52.93 2cqa s ASP 24 Cb -0.12 -2.25 -0.05 0.00 -0.30 0.00 0.00 42.92 40.19 2cqa s ASP 24 CO -0.04 -0.38 1.04 -0.13 -0.17 0.00 0.00 175.17 175.50 2cqa s ARG 25 N 2.27 3.52 -0.40 4.34 0.52 -1.26 -3.85 118.95 124.09 2cqa s ARG 25 Ca 0.17 1.20 -0.28 0.00 -0.52 0.00 0.00 55.73 56.31 2cqa s ARG 25 Cb -0.16 -2.06 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 2cqa s ARG 25 CO 0.12 -0.64 1.73 -1.25 0.02 0.00 0.00 175.30 175.28 2cqa s PRO 26 N -3.88 3.24 1.19 3.54 0.04 -1.26 -4.99 135.00 132.88 2cqa s PRO 26 Ca 0.64 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 2cqa s PRO 26 Cb -0.15 -4.20 0.23 0.00 0.04 0.00 0.00 34.50 30.42 2cqa s PRO 26 CO 0.32 -1.97 0.49 0.00 0.04 0.00 0.00 177.00 175.88 2cqa n ALA 27 N 10.48 -2.97 -1.54 8.56 0.00 -1.26 -4.70 120.51 129.08 2cqa n ALA 27 Ca 0.21 -1.38 -0.41 0.00 0.00 0.00 0.00 53.44 51.86 2cqa n ALA 27 Cb 0.48 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 2cqa n ALA 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cqa n THR 28 N -4.90 0.08 0.00 0.00 -2.24 -1.26 -4.66 114.28 101.30 2cqa n THR 28 Ca 0.07 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2cqa n THR 28 Cb 0.50 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 2cqa n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqa n GLY 29 N 6.10 3.63 3.62 3.38 0.00 -1.26 -5.05 105.19 115.60 2cqa n GLY 29 Ca 0.39 -1.70 -0.51 0.00 0.00 0.00 0.00 46.02 44.19 2cqa n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cqa n THR 30 N -1.22 0.04 -1.55 2.61 -1.04 -1.26 -4.91 114.28 106.95 2cqa n THR 30 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2cqa n THR 30 Cb 0.00 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 2cqa n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cqa n GLY 31 N 2.87 4.05 3.32 3.41 0.00 -1.26 -5.04 105.19 112.55 2cqa n GLY 31 Ca 0.19 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 2cqa n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqa s SER 32 N 1.65 1.49 -0.13 1.61 0.01 -1.26 -5.09 113.70 111.97 2cqa s SER 32 Ca 0.00 -1.57 -0.09 0.00 1.31 0.00 0.00 55.95 55.60 2cqa s SER 32 Cb 0.00 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.59 2cqa s SER 32 CO 0.00 -0.90 0.18 -0.54 0.41 0.00 0.00 173.24 172.39 2cqa s LYS 33 N -3.80 3.77 -0.00 12.44 1.02 -1.26 -4.52 119.74 127.38 2cqa s LYS 33 Ca 0.36 -0.07 -0.12 0.00 0.02 0.00 0.00 55.97 56.17 2cqa s LYS 33 Cb 0.05 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2cqa s LYS 33 CO 0.18 0.59 0.24 0.14 -0.92 0.00 0.00 175.35 175.58 2cqa s VAL 34 N -0.53 0.07 0.25 3.17 -7.23 -1.25 -3.97 120.40 110.92 2cqa s VAL 34 Ca 0.14 -0.59 -0.21 0.00 -1.81 0.00 0.00 61.98 59.51 2cqa s VAL 34 Cb -0.12 -0.57 0.03 0.00 0.56 0.00 0.00 36.38 36.28 2cqa s VAL 34 CO 0.04 -0.32 0.69 -0.83 -0.31 0.00 0.00 175.10 174.37 2cqa s GLY 35 N -1.41 -0.20 -0.14 2.32 0.00 -0.75 -0.09 107.32 107.05 2cqa s GLY 35 Ca -0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 44.72 44.44 2cqa s GLY 35 CO 0.03 -0.04 -0.11 1.25 0.00 0.00 0.00 173.10 174.23 2cqa s LYS 36 N -3.88 1.92 -0.09 2.90 2.47 -0.59 -1.05 119.74 121.42 2cqa s LYS 36 Ca 0.09 -0.44 -0.02 0.00 -1.56 0.00 0.00 55.97 54.03 2cqa s LYS 36 Cb -0.05 -1.90 -0.03 0.00 -1.46 0.00 0.00 37.83 34.38 2cqa s LYS 36 CO 0.03 -0.27 0.01 -1.17 0.16 0.00 0.00 175.35 174.11 2cqa s LEU 37 N 1.58 3.61 -0.13 5.43 2.96 -0.84 -0.70 118.68 130.59 2cqa s LEU 37 Ca 0.04 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 2cqa s LEU 37 Cb -0.13 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.75 2cqa s LEU 37 CO -0.09 0.37 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.31 2cqa s THR 38 N -0.83 1.30 0.00 3.68 2.01 -0.01 -0.32 115.64 121.47 2cqa s THR 38 Ca 0.13 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.69 2cqa s THR 38 Cb -0.11 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 2cqa s THR 38 CO 0.02 0.41 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.56 2cqa s LEU 39 N 1.60 3.29 -0.64 4.42 1.02 0.90 0.48 118.68 129.75 2cqa s LEU 39 Ca 0.05 -0.10 -0.22 0.00 0.02 0.00 0.00 54.13 53.88 2cqa s LEU 39 Cb -0.13 -1.88 0.08 0.00 0.02 0.00 0.00 46.19 44.28 2cqa s LEU 39 CO -0.09 0.28 0.90 -0.75 0.02 0.00 0.00 176.35 176.71 2cqa s LYS 40 N -1.47 3.09 0.63 1.70 2.20 -0.48 -0.39 119.74 125.02 2cqa s LYS 40 Ca 0.18 -0.96 -0.03 0.00 -0.36 0.00 0.00 55.97 54.80 2cqa s LYS 40 Cb -0.11 -4.24 0.05 0.00 -1.51 0.00 0.00 37.83 32.01 2cqa s LYS 40 CO 0.08 -1.75 0.89 0.95 -0.36 0.00 0.00 175.35 175.17 2cqa s THR 41 N 3.72 2.51 -0.49 3.43 -4.23 0.67 -3.71 115.64 117.54 2cqa s THR 41 Ca 0.19 -0.45 -0.44 0.00 -1.18 0.00 0.00 61.69 59.81 2cqa s THR 41 Cb -0.19 -3.02 -0.19 0.00 1.34 0.00 0.00 72.50 70.45 2cqa s THR 41 CO 0.09 -0.01 2.04 0.41 -0.54 0.00 0.00 174.62 176.61 2cqa n THR 42 N -2.63 0.00 -3.93 3.99 -1.04 -1.26 0.22 114.28 109.63 2cqa n THR 42 Ca 0.08 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.75 2cqa n THR 42 Cb 0.60 -0.49 -0.06 0.00 -1.82 0.00 0.00 70.33 68.55 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 6.94 -0.81 -3.57 -2.82 -0.58 -1.26 -4.82 120.64 113.73 2cqa n GLU 43 Ca 0.51 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 57.24 2cqa n GLU 43 Cb -0.04 -3.82 -0.05 0.00 -0.57 0.00 0.00 31.44 26.95 2cqa n GLU 43 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2cqa s MET 44 N -6.02 0.68 -0.10 3.49 1.75 0.13 -5.17 119.30 114.06 2cqa s MET 44 Ca 0.67 0.18 -0.03 0.00 -1.25 0.00 0.00 55.69 55.26 2cqa s MET 44 Cb -0.39 0.32 -0.03 0.00 2.84 0.00 0.00 34.83 37.57 2cqa s MET 44 CO 0.82 -0.21 0.00 -1.21 -0.65 0.00 0.00 175.02 173.77 2cqa s GLU 45 N -1.07 3.15 -0.04 4.11 2.02 -1.26 0.24 118.70 125.84 2cqa s GLU 45 Ca -0.03 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 54.60 2cqa s GLU 45 Cb -0.01 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 2cqa s GLU 45 CO 0.03 0.62 -0.20 0.99 0.02 0.00 0.00 175.26 176.71 2cqa s THR 46 N -0.64 1.68 -0.13 3.63 2.01 0.47 -4.87 115.64 117.79 2cqa s THR 46 Ca 0.10 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 2cqa s THR 46 Cb -0.12 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 2cqa s THR 46 CO 0.02 0.48 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.73 2cqa s ILE 47 N -0.12 3.61 -0.06 1.82 1.01 -1.26 -0.07 121.20 126.13 2cqa s ILE 47 Ca -0.02 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.21 2cqa s ILE 47 Cb -0.12 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 2cqa s ILE 47 CO 0.02 0.53 -0.22 -0.31 0.00 0.00 0.00 174.94 174.95 2cqa s TYR 48 N 0.10 2.51 -0.14 3.97 2.02 0.57 -5.00 117.35 121.38 2cqa s TYR 48 Ca -0.02 -0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 55.74 2cqa s TYR 48 Cb -0.14 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 2cqa s TYR 48 CO 0.03 -0.17 1.25 0.16 -1.57 0.00 0.00 175.55 175.26 2cqa s ASP 49 N -0.18 6.97 -0.21 2.29 -4.77 -1.26 -1.99 116.67 117.52 2cqa s ASP 49 Ca -0.03 1.73 -0.14 0.00 -3.30 0.00 0.00 52.55 50.81 2cqa s ASP 49 Cb -0.14 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.11 2cqa s ASP 49 CO 0.04 -0.72 0.32 -0.76 0.70 0.00 0.00 175.17 174.75 2cqa s LEU 50 N 3.16 4.15 0.00 2.11 1.43 -0.21 -4.96 118.68 124.36 2cqa s LEU 50 Ca 0.55 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2cqa s LEU 50 Cb -0.22 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2cqa s LEU 50 CO 0.17 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.33 2cqa n GLY 51 N 4.00 0.52 0.05 -3.19 0.00 -1.26 -1.80 105.19 103.50 2cqa n GLY 51 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.23 0.11 2.61 -1.04 -1.25 -4.06 114.28 110.88 2cqa n THR 52 Ca 0.00 0.43 0.20 0.00 -2.04 0.00 0.00 64.05 62.64 2cqa n THR 52 Cb 0.00 -1.61 0.73 0.00 -1.82 0.00 0.00 70.33 67.62 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 -0.15 0.00 -0.10 -2.82 -0.00 -1.94 0.51 116.57 112.07 2cqa h LYS 53 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 60.65 60.57 2cqa h LYS 53 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.38 2cqa h LYS 53 CO 0.00 0.00 -0.23 0.52 -0.00 0.00 0.00 179.45 179.74 2cqa h MET 54 N 0.00 0.33 -0.66 0.07 2.86 -1.79 -3.26 114.93 112.48 2cqa h MET 54 Ca 0.19 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2cqa h MET 54 Cb 1.16 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 2cqa h MET 54 CO -0.00 0.83 0.43 0.82 1.06 0.00 0.00 176.91 180.05 2cqa h ILE 55 N -0.12 1.13 -1.06 -1.22 2.04 -1.05 -1.88 117.51 115.36 2cqa h ILE 55 Ca -0.00 -0.29 0.29 0.00 1.00 0.00 0.00 64.86 65.85 2cqa h ILE 55 Cb 0.84 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 2cqa h ILE 55 CO 0.05 0.16 0.71 -0.33 0.00 0.00 0.00 178.15 178.74 2cqa h GLU 56 N 0.86 0.24 -0.21 2.37 5.08 -1.51 0.28 114.58 121.68 2cqa h GLU 56 Ca 0.25 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.40 2cqa h GLU 56 Cb -0.05 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.15 2cqa h GLU 56 CO -0.08 0.16 -0.63 0.77 -1.00 0.00 0.00 179.01 178.23 2cqa h SER 57 N 0.25 0.92 0.80 1.42 0.02 -1.40 -1.01 113.55 114.55 2cqa h SER 57 Ca 0.57 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2cqa h SER 57 Cb 1.73 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2cqa h SER 57 CO -0.19 1.34 0.00 -0.07 -1.14 0.00 0.00 176.83 176.77 2cqa h LEU 58 N 0.55 0.00 0.05 5.07 3.38 -0.40 -2.16 115.31 121.80 2cqa h LEU 58 Ca -0.02 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 2cqa h LEU 58 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2cqa h LEU 58 CO 0.13 0.00 -1.81 0.35 0.09 0.00 0.00 178.44 177.20 2cqa n THR 59 N -2.68 1.63 -0.25 0.22 -2.24 -0.44 -1.19 114.28 109.32 2cqa n THR 59 Ca 0.01 -0.37 -0.06 0.00 -2.27 0.00 0.00 64.05 61.36 2cqa n THR 59 Cb 0.25 -1.84 0.05 0.00 -2.10 0.00 0.00 70.33 66.69 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 -0.47 0.99 -0.43 -0.78 3.64 -1.12 -2.35 116.57 116.04 2cqa h LYS 60 Ca -0.44 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2cqa h LYS 60 Cb 1.69 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 2cqa h LYS 60 CO -0.10 0.75 0.00 -0.25 -2.27 0.00 0.00 179.45 177.58 2cqa n ASP 61 N -4.48 3.33 -4.24 4.20 8.00 -0.82 -4.96 116.55 117.58 2cqa n ASP 61 Ca 0.06 -1.97 -0.35 0.00 0.71 0.00 0.00 54.79 53.24 2cqa n ASP 61 Cb 0.10 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 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 1.38 -0.90 -1.86 -1.24 4.76 -0.89 -4.81 118.16 114.61 2cqa n LYS 62 Ca 0.20 0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 55.32 2cqa n LYS 62 Cb 0.57 -3.37 -0.03 0.00 -1.84 0.00 0.00 35.03 30.36 2cqa n LYS 62 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cqa s VAL 63 N -4.15 2.39 0.32 -0.18 1.01 -0.34 -5.00 120.40 114.45 2cqa s VAL 63 Ca 0.12 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.42 2cqa s VAL 63 Cb -0.07 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2cqa s VAL 63 CO 0.99 0.03 0.09 -1.10 0.00 0.00 0.00 175.10 175.10 2cqa s GLN 64 N 0.90 1.62 0.51 2.72 -0.21 -1.26 -4.95 119.66 118.99 2cqa s GLN 64 Ca 0.70 -1.91 -0.22 0.00 0.02 0.00 0.00 55.36 53.95 2cqa s GLN 64 Cb -0.46 -0.59 -0.06 0.00 1.00 0.00 0.00 33.01 32.90 2cqa s GLN 64 CO 0.34 -0.28 1.26 0.00 -2.12 0.00 0.00 175.29 174.48 2cqa s ALA 65 N -3.44 2.86 0.00 6.09 0.00 -1.26 -3.27 121.76 122.73 2cqa s ALA 65 Ca 0.35 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2cqa s ALA 65 Cb 0.07 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2cqa s ALA 65 CO 0.15 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2cqa n GLY 66 N 0.57 2.58 3.95 0.00 0.00 -0.84 -5.02 105.19 106.43 2cqa n GLY 66 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 0.35 5.82 -0.31 1.61 1.11 -1.20 -4.46 116.67 119.59 2cqa s ASP 67 Ca 0.00 0.35 -0.08 0.00 0.18 0.00 0.00 52.55 53.00 2cqa s ASP 67 Cb 0.00 -1.57 0.01 0.00 1.07 0.00 0.00 42.92 42.43 2cqa s ASP 67 CO 0.00 -0.73 0.11 -0.69 1.18 0.00 0.00 175.17 175.04 2cqa s VAL 68 N -2.60 4.12 -0.03 -1.27 1.01 -1.25 -0.60 120.40 119.78 2cqa s VAL 68 Ca 0.49 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2cqa s VAL 68 Cb -0.10 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2cqa s VAL 68 CO 0.39 0.02 -0.14 0.27 0.00 0.00 0.00 175.10 175.64 2cqa s ILE 69 N 1.51 3.12 0.33 2.22 -5.25 -1.14 -2.12 121.20 119.87 2cqa s ILE 69 Ca 0.02 -0.81 0.03 0.00 -0.99 0.00 0.00 60.65 58.90 2cqa s ILE 69 Cb -0.18 -2.26 -0.02 0.00 2.95 0.00 0.00 42.46 42.95 2cqa s ILE 69 CO 0.04 0.52 0.50 0.42 -1.79 0.00 0.00 174.94 174.62 2cqa s THR 70 N -0.81 4.82 -0.07 8.37 -4.23 0.10 -3.39 115.64 120.42 2cqa s THR 70 Ca 0.13 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2cqa s THR 70 Cb -0.11 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 70.02 2cqa s THR 70 CO 0.02 -0.39 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.02 2cqa s ILE 71 N -2.23 0.76 -0.46 2.99 1.01 -0.44 -1.82 121.20 121.02 2cqa s ILE 71 Ca 0.40 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.78 2cqa s ILE 71 Cb -0.09 -0.79 0.12 0.00 0.01 0.00 0.00 42.46 41.70 2cqa s ILE 71 CO 0.33 0.30 0.33 -1.81 0.00 0.00 0.00 174.94 174.09 2cqa s ASP 72 N 1.32 5.66 0.42 3.58 1.11 0.79 -2.28 116.67 127.26 2cqa s ASP 72 Ca -0.04 -1.89 0.14 0.00 0.18 0.00 0.00 52.55 50.94 2cqa s ASP 72 Cb -0.14 -1.99 0.89 0.00 1.07 0.00 0.00 42.92 42.75 2cqa s ASP 72 CO -0.03 -0.67 1.92 0.11 1.18 0.00 0.00 175.17 177.69 2cqa h LYS 73 N 8.42 0.00 -0.97 8.23 1.57 -1.44 0.85 116.57 133.23 2cqa h LYS 73 Ca -0.21 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 58.80 2cqa h LYS 73 Cb 1.07 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.20 2cqa h LYS 73 CO 0.84 0.26 -0.11 0.00 -0.57 0.00 0.00 179.45 179.87 2cqa h ALA 74 N 1.74 0.88 0.00 3.86 0.00 -1.92 -2.85 119.26 120.97 2cqa h ALA 74 Ca -0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2cqa h ALA 74 Cb 0.46 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2cqa h ALA 74 CO 0.03 -0.47 -0.14 -2.37 0.00 0.00 0.00 179.25 176.31 2cqa n THR 75 N -5.55 0.00 -1.90 0.00 5.66 -1.16 -5.03 114.28 106.30 2cqa n THR 75 Ca 0.19 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2cqa n THR 75 Cb 0.60 0.91 0.00 0.00 -1.55 0.00 0.00 70.33 70.29 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 1.07 0.83 3.73 1.09 0.00 0.29 -5.08 105.19 107.13 2cqa n GLY 76 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 2cqa n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqa s LYS 77 N -3.87 2.64 0.03 1.61 0.00 -0.64 -4.35 119.74 115.16 2cqa s LYS 77 Ca 0.00 -1.07 0.08 0.00 0.00 0.00 0.00 55.97 54.98 2cqa s LYS 77 Cb 0.00 -2.45 -0.02 0.00 0.00 0.00 0.00 37.83 35.35 2cqa s LYS 77 CO 0.00 0.44 -0.24 0.42 0.00 0.00 0.00 175.35 175.96 2cqa s ILE 78 N -1.91 1.97 0.11 3.79 1.01 -1.26 -0.15 121.20 124.76 2cqa s ILE 78 Ca 0.30 -1.24 0.06 0.00 0.00 0.00 0.00 60.65 59.77 2cqa s ILE 78 Cb -0.09 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 2cqa s ILE 78 CO 0.21 0.38 -0.15 -0.44 0.00 0.00 0.00 174.94 174.95 2cqa s SER 79 N -1.03 2.00 -0.05 3.58 0.01 -0.76 -4.91 113.70 112.55 2cqa s SER 79 Ca 0.10 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.61 2cqa s SER 79 Cb -0.10 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 2cqa s SER 79 CO 0.01 -0.11 -0.04 -0.75 0.41 0.00 0.00 173.24 172.76 2cqa s LYS 80 N -2.43 2.76 0.04 12.44 2.20 -1.26 0.03 119.74 133.52 2cqa s LYS 80 Ca 0.07 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 2cqa s LYS 80 Cb -0.06 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2cqa s LYS 80 CO 0.03 0.66 0.00 1.28 -0.36 0.00 0.00 175.35 176.96 2cqa n LEU 81 N 1.96 0.23 0.00 5.43 4.77 -0.90 -4.96 117.00 123.53 2cqa n LEU 81 Ca -0.17 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2cqa n LEU 81 Cb 0.53 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2cqa n LEU 81 CO 0.29 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 2cqa n GLY 82 N 2.80 3.93 3.36 -0.72 0.00 -1.11 -4.97 105.19 108.48 2cqa n GLY 82 Ca 0.00 -1.58 -0.45 0.00 0.00 0.00 0.00 46.02 43.99 2cqa n GLY 82 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2cqa n ARG 83 N -1.45 0.02 -3.61 1.61 1.85 -1.26 -3.89 116.66 109.92 2cqa n ARG 83 Ca 0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 2cqa n ARG 83 Cb 0.00 -1.01 -0.05 0.00 -1.05 0.00 0.00 32.46 30.35 2cqa n ARG 83 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2cqa s SER 84 N -1.00 -0.26 0.40 2.89 0.01 -1.26 -4.89 113.70 109.60 2cqa s SER 84 Ca 0.62 0.33 -0.26 0.00 1.31 0.00 0.00 55.95 57.95 2cqa s SER 84 Cb -0.80 0.27 -0.09 0.00 0.21 0.00 0.00 66.02 65.62 2cqa s SER 84 CO 0.59 -0.20 1.24 -0.36 0.41 0.00 0.00 173.24 174.92 2cqa s PHE 85 N -0.82 2.94 0.44 2.43 0.08 -1.26 -4.98 117.98 116.80 2cqa s PHE 85 Ca 0.03 1.48 -0.23 0.00 0.12 0.00 0.00 56.93 58.33 2cqa s PHE 85 Cb -0.02 -3.55 -0.08 0.00 -0.57 0.00 0.00 43.02 38.80 2cqa s PHE 85 CO -0.04 -1.74 1.08 0.99 -0.10 0.00 0.00 175.22 175.41 2cqa s THR 86 N -1.32 3.56 -1.07 0.64 2.01 -1.26 -4.93 115.64 113.27 2cqa s THR 86 Ca 0.57 1.13 -0.22 0.00 0.31 0.00 0.00 61.69 63.47 2cqa s THR 86 Cb -0.35 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.62 2cqa s THR 86 CO 0.44 -0.06 1.70 -0.13 -0.69 0.00 0.00 174.62 175.89 2cqa s ARG 87 N -2.74 3.26 0.12 4.92 3.00 -1.26 -4.88 118.95 121.38 2cqa s ARG 87 Ca 0.62 -1.10 -0.24 0.00 0.00 0.00 0.00 55.73 55.01 2cqa s ARG 87 Cb -0.22 -5.31 0.07 0.00 0.00 0.00 0.00 34.95 29.49 2cqa s ARG 87 CO 0.28 -2.75 0.63 0.00 0.00 0.00 0.00 175.30 173.45 2cqa s ALA 88 N 6.93 -1.64 -0.00 2.13 0.00 -1.26 -5.07 121.76 122.84 2cqa s ALA 88 Ca 0.57 0.63 0.06 0.00 0.00 0.00 0.00 51.96 53.22 2cqa s ALA 88 Cb -0.01 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 2cqa s ALA 88 CO -0.01 -0.71 -0.20 0.50 0.00 0.00 0.00 175.76 175.34 2cqa s ARG 89 N -3.37 1.53 -0.67 0.00 6.06 -1.26 -5.04 118.95 116.20 2cqa s ARG 89 Ca -0.00 -0.75 -0.02 0.00 -2.50 0.00 0.00 55.73 52.45 2cqa s ARG 89 Cb -0.01 -1.51 0.44 0.00 0.06 0.00 0.00 34.95 33.93 2cqa s ARG 89 CO -0.10 0.41 2.04 -1.13 -2.50 0.00 0.00 175.30 174.02 2cqa n SER 90 N 2.42 7.70 0.00 -2.12 3.41 -1.26 -5.01 113.62 118.76 2cqa n SER 90 Ca -0.16 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.67 2cqa n SER 90 Cb 0.53 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2cqa n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqa n GLY 91 N -0.89 1.20 3.60 5.00 0.00 -1.26 -4.40 105.19 108.45 2cqa n GLY 91 Ca 0.62 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.80 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 3.45 0.30 1.61 0.04 -1.26 -5.00 135.00 134.14 2cqa s PRO 92 Ca 0.00 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.44 2cqa s PRO 92 Cb 0.00 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.38 2cqa s PRO 92 CO 0.00 -1.72 0.40 -1.12 0.04 0.00 0.00 177.00 174.60 2cqa s SER 93 N 5.36 5.99 0.00 6.66 0.01 -1.26 -5.04 113.70 125.41 2cqa s SER 93 Ca 0.75 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2cqa s SER 93 Cb -0.21 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.60 2cqa s SER 93 CO 0.33 -0.28 0.00 -1.54 0.41 0.00 0.00 173.24 172.16 2cqa n SER 94 N -1.51 1.34 0.00 2.44 3.41 -1.26 -5.21 113.62 112.83 2cqa n SER 94 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2cqa n SER 94 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2cqa n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49