#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqi n SER -5 N 0.00 -1.26 -4.56 1.61 3.41 -1.26 -4.75 113.62 106.81 2cqi n SER -5 Ca 0.00 -1.25 -0.39 0.00 -0.26 0.00 0.00 58.87 56.97 2cqi n SER -5 Cb 0.00 -1.63 -0.03 0.00 -0.26 0.00 0.00 64.21 62.29 2cqi n SER -5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqi s SER -4 N -3.50 5.19 0.00 4.04 0.15 -1.26 -4.86 113.70 113.47 2cqi s SER -4 Ca 0.65 0.80 0.00 0.00 0.70 0.00 0.00 55.95 58.11 2cqi s SER -4 Cb -0.38 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 2cqi s SER -4 CO 1.02 -2.35 0.00 0.61 1.20 0.00 0.00 173.24 173.72 2cqi n GLY -3 N 5.72 1.86 0.09 9.45 0.00 -1.26 -4.79 105.19 116.26 2cqi n GLY -3 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 2cqi n GLY -3 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cqi h SER -2 N 0.00 -0.12 -0.99 1.61 0.02 -1.91 -3.36 113.55 108.81 2cqi h SER -2 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 2cqi h SER -2 Cb 0.00 0.03 -0.30 0.00 0.14 0.00 0.00 62.40 62.27 2cqi h SER -2 CO 0.00 0.30 0.77 -0.24 -1.14 0.00 0.00 176.83 176.52 2cqi n SER -1 N -4.52 6.38 -3.31 3.07 2.88 -1.26 -4.92 113.62 111.94 2cqi n SER -1 Ca -0.02 -3.73 -0.09 0.00 -1.33 0.00 0.00 58.87 53.69 2cqi n SER -1 Cb 0.06 -0.92 0.01 0.00 -0.75 0.00 0.00 64.21 62.60 2cqi n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqi n GLY 0 N -0.99 -1.24 3.32 0.46 0.00 -1.26 -5.02 105.19 100.46 2cqi n GLY 0 Ca 0.61 0.51 -0.23 0.00 0.00 0.00 0.00 46.02 46.92 2cqi n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cqi s MET 1 N -3.80 1.24 -0.27 1.61 0.00 -1.26 -5.10 119.30 111.72 2cqi s MET 1 Ca 0.06 -1.34 -0.23 0.00 0.00 0.00 0.00 55.69 54.19 2cqi s MET 1 Cb -0.02 -1.38 0.08 0.00 0.00 0.00 0.00 34.83 33.51 2cqi s MET 1 CO 0.80 0.30 0.73 1.41 0.00 0.00 0.00 175.02 178.25 2cqi s MET 2 N -2.50 0.79 0.06 3.16 0.00 -1.26 -4.70 119.30 114.84 2cqi s MET 2 Ca 0.13 1.04 0.01 0.00 0.00 0.00 0.00 55.69 56.87 2cqi s MET 2 Cb -0.07 0.33 -0.04 0.00 0.00 0.00 0.00 34.83 35.05 2cqi s MET 2 CO 0.06 -0.11 0.15 -1.21 0.00 0.00 0.00 175.02 173.91 2cqi s GLU 3 N 0.71 3.21 -0.57 4.11 0.41 -1.26 -5.07 118.70 120.24 2cqi s GLU 3 Ca -0.03 -0.52 -0.19 0.00 -0.41 0.00 0.00 54.97 53.82 2cqi s GLU 3 Cb -0.05 -2.92 0.08 0.00 -1.78 0.00 0.00 34.13 29.46 2cqi s GLU 3 CO -0.05 0.60 0.70 -0.51 -0.49 0.00 0.00 175.26 175.52 2cqi s ASP 4 N -2.35 6.20 -0.25 -0.19 1.11 -1.26 -4.85 116.67 115.08 2cqi s ASP 4 Ca 0.31 -1.19 -0.01 0.00 0.18 0.00 0.00 52.55 51.85 2cqi s ASP 4 Cb -0.13 -2.31 -0.17 0.00 1.07 0.00 0.00 42.92 41.38 2cqi s ASP 4 CO 0.24 -1.06 -0.19 -0.90 1.18 0.00 0.00 175.17 174.44 2cqi n ASP 5 N 6.41 1.99 0.00 0.27 5.75 -1.26 -5.01 116.55 124.69 2cqi n ASP 5 Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 2cqi n ASP 5 Cb 0.44 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2cqi n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cqi n GLY 6 N 2.13 -1.25 3.71 6.12 0.00 -1.26 -5.14 105.19 109.49 2cqi n GLY 6 Ca -0.46 0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2cqi n GLY 6 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cqi n GLN 7 N 0.00 1.95 -2.23 1.61 6.02 -1.26 -4.93 117.38 118.55 2cqi n GLN 7 Ca 0.00 0.70 -0.41 0.00 -0.01 0.00 0.00 57.00 57.27 2cqi n GLN 7 Cb 0.00 -2.42 -0.03 0.00 1.02 0.00 0.00 30.24 28.81 2cqi n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2cqi s PRO 8 N -2.26 4.39 -0.03 -1.09 0.04 -1.26 -4.92 135.00 129.87 2cqi s PRO 8 Ca 0.61 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.74 2cqi s PRO 8 Cb -0.50 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 30.91 2cqi s PRO 8 CO 0.58 -0.26 0.95 0.54 0.04 0.00 0.00 177.00 178.85 2cqi n ARG 9 N 2.76 1.84 -5.28 4.56 1.74 -1.26 -4.65 116.66 116.36 2cqi n ARG 9 Ca 0.07 -1.56 -0.31 0.00 -0.77 0.00 0.00 57.85 55.27 2cqi n ARG 9 Cb 0.43 -1.00 -0.16 0.00 -1.02 0.00 0.00 32.46 30.70 2cqi n ARG 9 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2cqi s THR 10 N -1.22 2.05 -0.00 0.55 2.01 -1.26 -0.38 115.64 117.39 2cqi s THR 10 Ca 0.08 -1.08 0.05 0.00 0.31 0.00 0.00 61.69 61.05 2cqi s THR 10 Cb 0.07 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 2cqi s THR 10 CO 0.01 0.57 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.59 2cqi s LEU 11 N -0.34 2.05 -0.23 4.42 1.43 -0.10 -1.52 118.68 124.39 2cqi s LEU 11 Ca 0.02 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 2cqi s LEU 11 Cb -0.12 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 2cqi s LEU 11 CO 0.02 0.18 0.27 -0.47 0.23 0.00 0.00 176.35 176.57 2cqi s TYR 12 N -0.45 3.34 -0.19 0.29 6.14 0.99 -1.34 117.35 126.11 2cqi s TYR 12 Ca 0.06 0.39 -0.06 0.00 0.64 0.00 0.00 57.07 58.10 2cqi s TYR 12 Cb -0.07 -2.39 -0.03 0.00 0.42 0.00 0.00 41.96 39.90 2cqi s TYR 12 CO -0.00 0.02 0.02 0.08 0.64 0.00 0.00 175.55 176.31 2cqi s VAL 13 N 1.20 4.24 0.31 3.14 1.01 0.28 -1.70 120.40 128.88 2cqi s VAL 13 Ca 0.12 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2cqi s VAL 13 Cb -0.14 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2cqi s VAL 13 CO 0.06 0.43 0.09 -0.83 0.00 0.00 0.00 175.10 174.86 2cqi s GLY 14 N 0.80 2.03 -0.89 4.51 0.00 0.59 -1.19 107.32 113.18 2cqi s GLY 14 Ca 0.01 -1.83 -0.02 0.00 0.00 0.00 0.00 44.72 42.88 2cqi s GLY 14 CO 0.02 -1.71 0.75 -2.01 0.00 0.00 0.00 173.10 170.15 2cqi n ASN 15 N -0.73 -3.10 -4.88 1.64 5.15 -1.23 -0.55 115.26 111.57 2cqi n ASN 15 Ca -0.02 -0.42 -0.35 0.00 -0.60 0.00 0.00 54.58 53.19 2cqi n ASN 15 Cb 0.66 -3.75 -0.05 0.00 -0.53 0.00 0.00 39.78 36.11 2cqi n ASN 15 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2cqi s LEU 16 N -5.21 4.38 0.42 1.20 1.43 -1.21 -4.14 118.68 115.55 2cqi s LEU 16 Ca 0.14 0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 53.55 2cqi s LEU 16 Cb -0.06 -2.51 -0.08 0.00 0.03 0.00 0.00 46.19 43.56 2cqi s LEU 16 CO 0.52 0.30 1.09 -0.55 0.23 0.00 0.00 176.35 177.94 2cqi s SER 17 N -1.51 6.54 0.65 2.29 0.15 -1.26 -3.97 113.70 116.58 2cqi s SER 17 Ca 0.24 2.13 0.24 0.00 0.70 0.00 0.00 55.95 59.27 2cqi s SER 17 Cb -0.13 -2.59 1.30 0.00 -1.71 0.00 0.00 66.02 62.89 2cqi s SER 17 CO 0.13 -0.65 1.73 -0.09 1.20 0.00 0.00 173.24 175.56 2cqi h ARG 18 N 2.31 0.00 0.14 5.44 2.43 -1.99 0.55 114.38 123.26 2cqi h ARG 18 Ca -0.49 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.40 2cqi h ARG 18 Cb 1.23 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2cqi h ARG 18 CO 0.61 0.00 -1.25 -0.44 -1.51 0.00 0.00 179.97 177.38 2cqi h ASP 19 N 0.00 0.54 -1.49 -3.80 3.32 -1.99 -3.46 116.42 109.53 2cqi h ASP 19 Ca 0.04 -0.55 -0.68 0.00 0.02 0.00 0.00 57.03 55.86 2cqi h ASP 19 Cb 1.04 -0.17 0.08 0.00 0.22 0.00 0.00 39.33 40.50 2cqi h ASP 19 CO -0.00 1.42 -0.02 0.52 -1.72 0.00 0.00 179.24 179.44 2cqi n VAL 20 N -3.60 1.08 -4.36 -1.35 0.31 0.19 -4.98 118.33 105.62 2cqi n VAL 20 Ca -0.10 -0.27 -0.20 0.00 -0.01 0.00 0.00 64.34 63.76 2cqi n VAL 20 Cb 1.01 -0.42 -0.10 0.00 -0.91 0.00 0.00 33.84 33.43 2cqi n VAL 20 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2cqi s THR 21 N -0.44 1.86 0.22 2.52 -4.23 -1.26 -4.94 115.64 109.37 2cqi s THR 21 Ca 0.74 -2.17 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 2cqi s THR 21 Cb -0.96 -2.03 0.17 0.00 1.34 0.00 0.00 72.50 71.02 2cqi s THR 21 CO 0.55 -0.51 1.77 -0.08 -0.54 0.00 0.00 174.62 175.82 2cqi h GLU 22 N 2.68 0.54 -0.39 3.99 4.22 -1.96 -0.78 114.58 122.88 2cqi h GLU 22 Ca -0.39 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 58.94 2cqi h GLU 22 Cb 1.22 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2cqi h GLU 22 CO 0.59 0.36 -0.09 -0.24 -2.18 0.00 0.00 179.01 177.45 2cqi h VAL 23 N 0.56 1.24 0.06 0.32 3.04 -1.97 -2.38 116.25 117.12 2cqi h VAL 23 Ca 0.34 -1.07 -0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2cqi h VAL 23 Cb 0.37 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2cqi h VAL 23 CO -0.27 0.36 -0.03 0.25 -1.01 0.00 0.00 177.57 176.87 2cqi h LEU 24 N 0.61 -0.07 -0.43 3.16 6.46 -1.60 -1.29 115.31 122.17 2cqi h LEU 24 Ca 0.11 -0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 2cqi h LEU 24 Cb 0.52 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2cqi h LEU 24 CO 0.03 0.11 0.23 0.40 -0.62 0.00 0.00 178.44 178.58 2cqi h ILE 25 N -0.24 0.99 -0.17 4.05 1.08 -1.16 -1.56 117.51 120.50 2cqi h ILE 25 Ca -0.01 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 2cqi h ILE 25 Cb 0.21 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 2cqi h ILE 25 CO 0.01 0.08 0.02 -0.07 -0.69 0.00 0.00 178.15 177.51 2cqi h LEU 26 N 0.45 0.22 0.04 1.44 3.38 -1.35 -1.11 115.31 118.38 2cqi h LEU 26 Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2cqi h LEU 26 Cb 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2cqi h LEU 26 CO -0.11 0.24 -0.02 1.56 0.09 0.00 0.00 178.44 180.20 2cqi h GLN 27 N 0.24 -0.05 -0.29 1.13 1.08 -0.26 0.62 115.11 117.58 2cqi h GLN 27 Ca 0.06 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2cqi h GLN 27 Cb 0.13 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2cqi h GLN 27 CO -0.00 0.24 0.10 -0.07 -0.95 0.00 0.00 178.83 178.15 2cqi h LEU 28 N -0.35 0.41 -0.84 1.46 3.38 -1.12 -2.47 115.31 115.77 2cqi h LEU 28 Ca -0.01 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 2cqi h LEU 28 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2cqi h LEU 28 CO 0.01 0.49 -0.43 -0.26 0.09 0.00 0.00 178.44 178.34 2cqi h PHE 29 N 0.31 0.38 -0.58 1.13 -1.00 -1.22 -2.96 116.94 113.00 2cqi h PHE 29 Ca 0.09 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 2cqi h PHE 29 Cb 0.22 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.67 2cqi h PHE 29 CO 0.00 0.70 0.29 1.03 -1.61 0.00 0.00 178.31 178.73 2cqi h SER 30 N 0.27 0.72 -0.65 2.17 0.87 0.49 -1.73 113.55 115.69 2cqi h SER 30 Ca 0.02 -0.06 0.15 0.00 -1.23 0.00 0.00 61.79 60.68 2cqi h SER 30 Cb 0.87 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 2cqi h SER 30 CO 0.07 0.60 0.45 1.56 -0.53 0.00 0.00 176.83 178.98 2cqi h GLN 31 N 0.81 0.19 0.00 2.24 4.20 -1.27 -2.65 115.11 118.63 2cqi h GLN 31 Ca 0.20 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.75 2cqi h GLN 31 Cb 0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2cqi h GLN 31 CO -0.03 0.12 -0.84 0.82 -0.67 0.00 0.00 178.83 178.23 2cqi h ILE 32 N 0.19 1.18 -3.16 2.54 2.04 -1.47 -3.50 117.51 115.33 2cqi h ILE 32 Ca 0.31 -2.21 0.01 0.00 1.00 0.00 0.00 64.86 63.97 2cqi h ILE 32 Cb 0.96 2.55 -0.08 0.00 -0.74 0.00 0.00 36.82 39.50 2cqi h ILE 32 CO -0.06 0.40 0.13 -0.83 0.00 0.00 0.00 178.15 177.79 2cqi s GLY 33 N -4.64 -0.14 0.06 5.37 0.00 -0.75 -5.03 107.32 102.19 2cqi s GLY 33 Ca -0.25 -0.17 -0.31 0.00 0.00 0.00 0.00 44.72 43.99 2cqi s GLY 33 CO 0.61 -0.15 1.41 2.56 0.00 0.00 0.00 173.10 177.53 2cqi s PRO 34 N -3.88 4.30 -0.20 2.90 0.04 -1.26 -3.75 135.00 133.16 2cqi s PRO 34 Ca 0.09 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 2cqi s PRO 34 Cb -0.03 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2cqi s PRO 34 CO -0.00 -0.52 0.33 0.00 0.04 0.00 0.00 177.00 176.86 2cqi h LYS 36 N 7.21 0.54 -1.54 0.00 3.64 -0.03 -3.47 116.57 122.92 2cqi h LYS 36 Ca -0.38 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 58.90 2cqi h LYS 36 Cb 1.16 -0.04 -0.26 0.00 -0.41 0.00 0.00 32.23 32.69 2cqi h LYS 36 CO 0.72 0.70 0.53 0.45 -2.27 0.00 0.00 179.45 179.57 2cqi s SER 37 N -6.07 -0.39 -0.07 4.20 0.15 -1.20 -5.03 113.70 105.29 2cqi s SER 37 Ca -0.13 0.63 0.02 0.00 0.70 0.00 0.00 55.95 57.17 2cqi s SER 37 Cb 0.08 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 65.01 2cqi s SER 37 CO 0.77 -0.21 -0.12 0.00 1.20 0.00 0.00 173.24 174.88 2cqi s LYS 39 N 0.71 2.08 -0.30 0.00 2.20 -0.68 -4.95 119.74 118.80 2cqi s LYS 39 Ca -0.14 -1.21 -0.19 0.00 -0.36 0.00 0.00 55.97 54.07 2cqi s LYS 39 Cb -0.16 -2.78 -0.01 0.00 -1.51 0.00 0.00 37.83 33.37 2cqi s LYS 39 CO 0.03 -0.56 0.55 1.41 -0.36 0.00 0.00 175.35 176.42 2cqi s MET 40 N 1.20 3.87 -0.34 4.03 -2.45 -1.26 -0.59 119.30 123.75 2cqi s MET 40 Ca -0.07 0.14 -0.08 0.00 -1.25 0.00 0.00 55.69 54.43 2cqi s MET 40 Cb -0.19 -3.73 0.02 0.00 1.25 0.00 0.00 34.83 32.18 2cqi s MET 40 CO -0.06 -0.52 0.14 0.42 1.05 0.00 0.00 175.02 176.06 2cqi s ILE 41 N 2.43 4.17 -0.22 10.11 1.01 0.15 -4.93 121.20 133.91 2cqi s ILE 41 Ca 0.21 -0.87 0.18 0.00 0.00 0.00 0.00 60.65 60.18 2cqi s ILE 41 Cb -0.15 -3.28 0.48 0.00 0.01 0.00 0.00 42.46 39.51 2cqi s ILE 41 CO 0.11 -0.11 1.15 0.35 0.00 0.00 0.00 174.94 176.44 2cqi n THR 42 N 4.90 1.46 -2.65 2.92 -2.24 -1.26 -2.01 114.28 115.40 2cqi n THR 42 Ca -0.13 -2.97 -0.27 0.00 -2.27 0.00 0.00 64.05 58.42 2cqi n THR 42 Cb 0.46 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.19 2cqi n THR 42 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2cqi n GLU 43 N -0.49 3.31 -4.01 -0.78 0.28 -1.26 -5.01 120.64 112.68 2cqi n GLU 43 Ca 0.17 -4.61 -0.10 0.00 -0.16 0.00 0.00 57.16 52.47 2cqi n GLU 43 Cb 0.89 -2.23 -0.11 0.00 1.43 0.00 0.00 31.44 31.42 2cqi n GLU 43 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2cqi s HIS 44 N -3.50 0.37 -0.86 -1.84 -3.43 -1.26 -5.05 115.29 99.72 2cqi s HIS 44 Ca 0.48 -0.57 -0.06 0.00 -0.80 0.00 0.00 55.06 54.12 2cqi s HIS 44 Cb 0.36 -0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 2cqi s HIS 44 CO -0.17 -0.18 2.81 -2.37 -2.00 0.00 0.00 174.74 172.83 2cqi n THR 45 N 1.45 4.09 -4.21 -5.38 5.66 -1.26 -4.87 114.28 109.76 2cqi n THR 45 Ca -0.23 -3.15 -0.12 0.00 -3.05 0.00 0.00 64.05 57.50 2cqi n THR 45 Cb 0.55 -1.98 -0.04 0.00 -1.55 0.00 0.00 70.33 67.31 2cqi n THR 45 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2cqi n SER 46 N 1.84 0.45 -3.22 1.09 7.64 -1.26 -5.15 113.62 115.01 2cqi n SER 46 Ca 0.57 -2.13 -0.09 0.00 1.01 0.00 0.00 58.87 58.23 2cqi n SER 46 Cb 0.46 0.68 0.09 0.00 -1.01 0.00 0.00 64.21 64.43 2cqi n SER 46 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2cqi n ASN 47 N -2.02 -2.22 -3.15 6.43 3.02 -1.26 -4.80 115.26 111.26 2cqi n ASN 47 Ca 0.00 -0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 54.01 2cqi n ASN 47 Cb 0.32 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 39.10 2cqi n ASN 47 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2cqi n ASP 48 N -1.94 -3.10 -4.06 6.41 8.00 -1.26 -4.91 116.55 115.69 2cqi n ASP 48 Ca 0.04 0.42 -0.30 0.00 0.71 0.00 0.00 54.79 55.67 2cqi n ASP 48 Cb 0.18 -0.62 0.22 0.00 -0.02 0.00 0.00 41.12 40.87 2cqi n ASP 48 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cqi s PRO 49 N -0.90 -0.78 0.12 -0.24 0.04 -1.25 -4.62 135.00 127.37 2cqi s PRO 49 Ca 0.40 0.09 -0.06 0.00 0.04 0.00 0.00 61.00 61.47 2cqi s PRO 49 Cb -0.33 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2cqi s PRO 49 CO 0.52 -3.45 0.15 1.52 0.04 0.00 0.00 177.00 175.78 2cqi s TYR 50 N -3.00 0.48 0.04 0.56 1.13 -0.85 -3.32 117.35 112.39 2cqi s TYR 50 Ca 0.69 -0.89 -0.09 0.00 -1.41 0.00 0.00 57.07 55.37 2cqi s TYR 50 Cb -0.12 -0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 2cqi s TYR 50 CO 0.56 -0.57 0.20 0.00 -2.51 0.00 0.00 175.55 173.23 2cqi s PHE 52 N -2.65 3.11 -0.19 0.00 0.08 0.24 -0.55 117.98 118.02 2cqi s PHE 52 Ca -0.04 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.08 2cqi s PHE 52 Cb -0.01 -1.83 0.04 0.00 -0.57 0.00 0.00 43.02 40.65 2cqi s PHE 52 CO -0.04 0.33 -0.10 0.08 -0.10 0.00 0.00 175.22 175.38 2cqi s VAL 53 N -0.54 1.56 -0.15 -0.44 1.01 -0.45 -1.68 120.40 119.72 2cqi s VAL 53 Ca 0.09 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2cqi s VAL 53 Cb -0.12 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2cqi s VAL 53 CO 0.02 0.21 -0.00 -0.70 0.00 0.00 0.00 175.10 174.63 2cqi s GLU 54 N 1.44 3.62 0.24 2.72 2.12 -0.80 -0.92 118.70 127.11 2cqi s GLU 54 Ca -0.00 -0.45 0.07 0.00 0.36 0.00 0.00 54.97 54.95 2cqi s GLU 54 Cb -0.16 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 2cqi s GLU 54 CO -0.08 0.35 0.19 -0.06 -0.54 0.00 0.00 175.26 175.11 2cqi s PHE 55 N 0.10 3.11 0.21 5.30 0.08 0.49 0.67 117.98 127.94 2cqi s PHE 55 Ca 0.01 -0.10 0.11 0.00 0.12 0.00 0.00 56.93 57.07 2cqi s PHE 55 Cb -0.13 -1.41 0.26 0.00 -0.57 0.00 0.00 43.02 41.17 2cqi s PHE 55 CO 0.02 0.52 1.55 1.88 -0.10 0.00 0.00 175.22 179.09 2cqi h TYR 56 N 1.59 0.00 -3.21 0.36 0.05 -1.87 -3.43 116.97 110.46 2cqi h TYR 56 Ca -0.48 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 57.82 2cqi h TYR 56 Cb 1.24 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.81 2cqi h TYR 56 CO 0.56 0.67 -0.76 -1.21 -1.05 0.00 0.00 178.16 176.37 2cqi s GLU 57 N -3.38 1.24 0.17 4.88 0.41 -1.26 -5.05 118.70 115.71 2cqi s GLU 57 Ca -0.00 -1.44 -0.03 0.00 -0.41 0.00 0.00 54.97 53.09 2cqi s GLU 57 Cb 0.12 -1.17 0.05 0.00 -1.78 0.00 0.00 34.13 31.34 2cqi s GLU 57 CO 0.76 0.22 1.43 1.25 -0.49 0.00 0.00 175.26 178.44 2cqi h HIS 58 N 3.06 0.65 -0.72 1.61 -0.00 -1.88 -2.86 115.15 115.01 2cqi h HIS 58 Ca -0.40 -0.27 0.02 0.00 -0.00 0.00 0.00 60.37 59.71 2cqi h HIS 58 Cb 1.21 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.48 2cqi h HIS 58 CO 0.69 1.03 0.48 0.07 -0.00 0.00 0.00 177.93 180.20 2cqi h ARG 59 N 0.34 0.92 -0.12 5.26 0.11 -1.96 -1.45 114.38 117.47 2cqi h ARG 59 Ca -0.02 -0.06 -0.11 0.00 0.10 0.00 0.00 59.98 59.89 2cqi h ARG 59 Cb 1.27 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.14 2cqi h ARG 59 CO 0.12 0.61 -0.34 -0.44 0.10 0.00 0.00 179.97 180.02 2cqi h ASP 60 N 0.95 0.51 -0.59 0.08 3.32 -1.96 -1.88 116.42 116.84 2cqi h ASP 60 Ca 0.27 -0.59 0.05 0.00 0.02 0.00 0.00 57.03 56.78 2cqi h ASP 60 Cb -0.06 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 2cqi h ASP 60 CO -0.07 1.01 0.32 0.00 -1.72 0.00 0.00 179.24 178.79 2cqi h ALA 61 N 0.51 0.78 -0.43 3.45 0.00 -1.23 0.17 119.26 122.51 2cqi h ALA 61 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2cqi h ALA 61 Cb 0.96 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2cqi h ALA 61 CO 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 179.25 179.04 2cqi h ALA 62 N 1.31 0.62 -0.32 0.00 0.00 -1.31 0.84 119.26 120.39 2cqi h ALA 62 Ca 0.26 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2cqi h ALA 62 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2cqi h ALA 62 CO -0.16 0.66 0.09 0.00 0.00 0.00 0.00 179.25 179.84 2cqi h ALA 63 N 0.82 0.42 -0.10 0.00 0.00 -0.82 -2.30 119.26 117.29 2cqi h ALA 63 Ca 0.09 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2cqi h ALA 63 Cb 0.88 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2cqi h ALA 63 CO 0.08 0.07 -0.64 0.00 0.00 0.00 0.00 179.25 178.77 2cqi h ALA 64 N 0.92 0.73 0.06 0.00 0.00 -0.66 -2.19 119.26 118.11 2cqi h ALA 64 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2cqi h ALA 64 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2cqi h ALA 64 CO -0.00 0.73 -0.06 1.25 0.00 0.00 0.00 179.25 181.17 2cqi h LEU 65 N 0.26 -0.17 -0.43 0.00 5.85 -0.68 0.63 115.31 120.78 2cqi h LEU 65 Ca -0.01 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2cqi h LEU 65 Cb 1.18 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2cqi h LEU 65 CO 0.11 -0.10 -0.16 0.00 -0.34 0.00 0.00 178.44 177.95 2cqi h ALA 66 N 0.80 0.60 -0.10 1.25 0.00 -1.45 1.80 119.26 122.16 2cqi h ALA 66 Ca 0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2cqi h ALA 66 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2cqi h ALA 66 CO -0.02 0.53 -0.33 0.00 0.00 0.00 0.00 179.25 179.43 2cqi h ALA 67 N 0.84 1.27 0.00 0.00 0.00 -1.20 -2.93 119.26 117.24 2cqi h ALA 67 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2cqi h ALA 67 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2cqi h ALA 67 CO 0.05 0.50 -1.49 -1.33 0.00 0.00 0.00 179.25 176.99 2cqi n MET 68 N -4.10 0.48 -1.54 0.00 2.81 0.22 -4.60 117.12 110.39 2cqi n MET 68 Ca -0.01 -0.08 -0.37 0.00 -1.81 0.00 0.00 57.70 55.43 2cqi n MET 68 Cb 0.41 -1.58 -0.06 0.00 -0.71 0.00 0.00 33.22 31.27 2cqi n MET 68 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2cqi n ASN 69 N -2.16 1.79 -0.79 7.83 2.85 0.61 -0.47 115.26 124.92 2cqi n ASN 69 Ca -0.01 -0.36 -0.07 0.00 -0.11 0.00 0.00 54.58 54.03 2cqi n ASN 69 Cb 0.51 -1.42 -0.01 0.00 1.24 0.00 0.00 39.78 40.10 2cqi n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2cqi n GLY 70 N 6.14 0.18 3.84 8.20 0.00 0.91 -4.84 105.19 119.62 2cqi n GLY 70 Ca 0.45 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2cqi n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cqi s ARG 71 N -4.14 2.92 -0.30 1.61 3.52 0.38 -4.61 118.95 118.33 2cqi s ARG 71 Ca 0.00 0.76 -0.18 0.00 -0.13 0.00 0.00 55.73 56.18 2cqi s ARG 71 Cb 0.00 -2.00 -0.02 0.00 -1.56 0.00 0.00 34.95 31.37 2cqi s ARG 71 CO 0.00 -1.06 0.50 0.15 -0.81 0.00 0.00 175.30 174.08 2cqi s LYS 72 N -5.15 3.86 -0.09 5.12 -0.14 -1.26 -0.06 119.74 122.01 2cqi s LYS 72 Ca 0.58 0.07 -0.01 0.00 -1.36 0.00 0.00 55.97 55.25 2cqi s LYS 72 Cb -0.13 -3.72 0.03 0.00 -1.68 0.00 0.00 37.83 32.33 2cqi s LYS 72 CO 0.54 -0.48 -0.01 0.42 -0.76 0.00 0.00 175.35 175.07 2cqi s ILE 73 N 2.33 0.52 -1.41 2.17 1.01 -0.17 -4.81 121.20 120.83 2cqi s ILE 73 Ca 0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 2cqi s ILE 73 Cb -0.16 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.63 2cqi s ILE 73 CO 0.11 0.22 0.87 0.18 0.00 0.00 0.00 174.94 176.33 2cqi n LEU 74 N 5.10 -3.02 0.00 2.97 4.77 -1.26 -1.13 117.00 124.43 2cqi n LEU 74 Ca -0.08 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2cqi n LEU 74 Cb 0.50 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 2cqi n LEU 74 CO 0.12 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2cqi n GLY 75 N -1.74 1.35 3.24 -0.72 0.00 -1.26 -4.97 105.19 101.09 2cqi n GLY 75 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2cqi n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cqi s LYS 76 N -0.16 3.15 0.08 1.61 2.20 -0.29 -5.10 119.74 121.24 2cqi s LYS 76 Ca 0.00 -0.79 -0.31 0.00 -0.36 0.00 0.00 55.97 54.51 2cqi s LYS 76 Cb 0.00 -2.54 -0.06 0.00 -1.51 0.00 0.00 37.83 33.72 2cqi s LYS 76 CO 0.00 0.03 1.26 -2.00 -0.36 0.00 0.00 175.35 174.28 2cqi s GLU 77 N 0.75 4.40 -0.12 4.03 2.12 -1.26 -1.00 118.70 127.62 2cqi s GLU 77 Ca -0.07 1.87 -0.05 0.00 0.36 0.00 0.00 54.97 57.08 2cqi s GLU 77 Cb -0.16 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2cqi s GLU 77 CO 0.00 -0.31 0.07 0.14 -0.54 0.00 0.00 175.26 174.62 2cqi s VAL 78 N 1.06 4.87 -0.30 3.70 -7.23 0.92 -4.73 120.40 118.68 2cqi s VAL 78 Ca 0.61 -0.03 -0.12 0.00 -1.81 0.00 0.00 61.98 60.63 2cqi s VAL 78 Cb -0.32 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 2cqi s VAL 78 CO 0.30 0.59 0.23 -1.59 -0.31 0.00 0.00 175.10 174.31 2cqi s LYS 79 N -0.73 3.77 -0.11 4.82 -2.85 0.29 -0.06 119.74 124.87 2cqi s LYS 79 Ca 0.12 -0.43 0.02 0.00 -1.00 0.00 0.00 55.97 54.68 2cqi s LYS 79 Cb -0.12 -3.72 -0.01 0.00 -2.06 0.00 0.00 37.83 31.92 2cqi s LYS 79 CO 0.03 -0.30 -0.16 0.08 0.10 0.00 0.00 175.35 175.10 2cqi s VAL 80 N 1.77 2.81 0.19 1.79 1.01 -1.26 -0.30 120.40 126.42 2cqi s VAL 80 Ca 0.07 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2cqi s VAL 80 Cb -0.17 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2cqi s VAL 80 CO 0.11 0.54 0.25 0.21 0.00 0.00 0.00 175.10 176.22 2cqi s ASN 81 N 0.13 0.08 0.03 3.32 2.47 -0.69 -4.54 114.94 115.75 2cqi s ASN 81 Ca -0.08 -1.11 -0.30 0.00 0.42 0.00 0.00 52.86 51.79 2cqi s ASN 81 Cb -0.15 0.44 -0.07 0.00 -1.45 0.00 0.00 41.25 40.02 2cqi s ASN 81 CO 0.05 -0.92 1.49 0.26 -3.72 0.00 0.00 177.10 174.26 2cqi s TRP 82 N -4.06 2.72 -0.94 0.43 0.52 -1.26 -0.01 118.94 116.34 2cqi s TRP 82 Ca 0.27 0.65 -0.07 0.00 0.02 0.00 0.00 56.10 56.97 2cqi s TRP 82 Cb 0.04 -3.77 -0.05 0.00 -1.15 0.00 0.00 33.47 28.54 2cqi s TRP 82 CO 0.07 -2.94 2.94 0.00 0.02 0.00 0.00 176.95 177.04 2cqi n ALA 83 N 5.37 6.89 -3.17 0.98 0.00 -0.58 -4.73 120.51 125.27 2cqi n ALA 83 Ca 0.14 -3.17 -0.46 0.00 0.00 0.00 0.00 53.44 49.95 2cqi n ALA 83 Cb 0.42 -2.74 -0.02 0.00 0.00 0.00 0.00 19.45 17.11 2cqi n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2cqi s THR 84 N 0.22 5.27 0.40 0.00 2.01 -1.26 -4.89 115.64 117.38 2cqi s THR 84 Ca 0.63 -2.10 -0.25 0.00 0.31 0.00 0.00 61.69 60.28 2cqi s THR 84 Cb 0.25 -4.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.09 2cqi s THR 84 CO -0.08 -1.21 1.16 0.42 -0.69 0.00 0.00 174.62 174.22 2cqi s THR 85 N 1.17 3.20 0.21 -0.82 -4.23 -1.26 -4.99 115.64 108.92 2cqi s THR 85 Ca 0.23 1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 61.45 2cqi s THR 85 Cb -0.09 -3.56 -0.09 0.00 1.34 0.00 0.00 72.50 70.10 2cqi s THR 85 CO -0.09 0.09 1.30 -2.16 -0.54 0.00 0.00 174.62 173.22 2cqi s PRO 86 N -2.28 4.40 0.12 3.99 0.04 -1.26 -5.04 135.00 134.96 2cqi s PRO 86 Ca 0.57 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.70 2cqi s PRO 86 Cb -0.30 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2cqi s PRO 86 CO 0.38 -0.22 0.08 0.45 0.04 0.00 0.00 177.00 177.72 2cqi s SER 87 N 0.22 5.38 -0.12 6.66 0.15 -1.26 -5.04 113.70 119.68 2cqi s SER 87 Ca 0.55 -0.11 -0.34 0.00 0.70 0.00 0.00 55.95 56.76 2cqi s SER 87 Cb -0.36 -1.39 -0.12 0.00 -1.71 0.00 0.00 66.02 62.44 2cqi s SER 87 CO 0.39 0.13 1.92 -1.20 1.20 0.00 0.00 173.24 175.68 2cqi n SER 88 N 0.17 3.32 -2.25 5.45 7.64 -1.26 -4.87 113.62 121.82 2cqi n SER 88 Ca -0.09 0.90 -0.27 0.00 1.01 0.00 0.00 58.87 60.42 2cqi n SER 88 Cb 0.53 -1.36 0.02 0.00 -1.01 0.00 0.00 64.21 62.39 2cqi n SER 88 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2cqi n GLN 89 N 6.82 3.40 -4.07 1.43 -0.06 -1.26 -5.03 117.38 118.60 2cqi n GLN 89 Ca 0.24 -4.13 -0.24 0.00 -2.00 0.00 0.00 57.00 50.88 2cqi n GLN 89 Cb 0.29 -2.27 -0.05 0.00 -4.06 0.00 0.00 30.24 24.15 2cqi n GLN 89 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2cqi s LYS 90 N -3.64 3.00 0.05 3.69 1.02 -1.26 -5.13 119.74 117.47 2cqi s LYS 90 Ca 0.52 -0.91 0.07 0.00 0.02 0.00 0.00 55.97 55.67 2cqi s LYS 90 Cb 0.42 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 2cqi s LYS 90 CO -0.07 0.45 -0.21 -1.12 -0.92 0.00 0.00 175.35 173.49 2cqi s SER 91 N -3.48 2.46 0.45 2.83 0.01 -1.26 -5.13 113.70 109.58 2cqi s SER 91 Ca 0.32 -0.55 -0.23 0.00 1.31 0.00 0.00 55.95 56.80 2cqi s SER 91 Cb -0.09 -0.19 -0.08 0.00 0.21 0.00 0.00 66.02 65.87 2cqi s SER 91 CO 0.25 0.14 1.16 -0.83 0.41 0.00 0.00 173.24 174.37 2cqi s GLY 92 N -1.29 2.78 0.30 3.44 0.00 -1.26 -4.92 107.32 106.37 2cqi s GLY 92 Ca 0.07 0.92 0.25 0.00 0.00 0.00 0.00 44.72 45.96 2cqi s GLY 92 CO 0.02 1.38 1.75 -0.56 0.00 0.00 0.00 173.10 175.69 2cqi h PRO 93 N 2.13 0.00 -6.32 2.90 0.13 -2.03 -3.43 132.00 125.37 2cqi h PRO 93 Ca -0.49 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 2cqi h PRO 93 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2cqi h PRO 93 CO 0.61 0.00 0.72 -1.12 -0.23 0.00 0.00 178.00 177.98 2cqi s SER 94 N -4.44 7.01 -0.55 1.44 0.01 -1.26 -4.98 113.70 110.93 2cqi s SER 94 Ca 0.04 1.87 -0.23 0.00 1.31 0.00 0.00 55.95 58.94 2cqi s SER 94 Cb 0.09 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.81 2cqi s SER 94 CO 0.41 -0.61 0.87 -0.55 0.41 0.00 0.00 173.24 173.78 2cqi s SER 95 N 1.55 6.30 0.00 2.44 0.15 -1.26 -5.21 113.70 117.67 2cqi s SER 95 Ca 0.57 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2cqi s SER 95 Cb -0.26 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2cqi s SER 95 CO 0.23 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 174.11