#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqi s SER -5 N 0.00 3.76 -0.09 1.61 0.15 -1.26 -5.11 113.70 112.77 2cqi s SER -5 Ca 0.00 -0.41 -0.07 0.00 0.70 0.00 0.00 55.95 56.17 2cqi s SER -5 Cb 0.00 -1.57 0.03 0.00 -1.71 0.00 0.00 66.02 62.77 2cqi s SER -5 CO 0.00 0.13 0.22 -0.44 1.20 0.00 0.00 173.24 174.36 2cqi s SER -4 N 0.53 -0.23 -0.25 5.45 0.01 -1.26 -5.14 113.70 112.81 2cqi s SER -4 Ca -0.10 0.45 -0.08 0.00 1.31 0.00 0.00 55.95 57.54 2cqi s SER -4 Cb -0.16 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 2cqi s SER -4 CO 0.04 -0.10 0.08 -0.83 0.41 0.00 0.00 173.24 172.85 2cqi s GLY -3 N 0.43 1.79 -0.10 3.44 0.00 -1.26 -5.07 107.32 106.54 2cqi s GLY -3 Ca -0.03 -1.12 -0.06 0.00 0.00 0.00 0.00 44.72 43.52 2cqi s GLY -3 CO -0.02 0.54 0.25 -0.45 0.00 0.00 0.00 173.10 173.42 2cqi s SER -2 N 1.60 -0.27 -0.21 1.64 0.15 -1.26 -5.14 113.70 110.21 2cqi s SER -2 Ca 0.06 0.53 -0.08 0.00 0.70 0.00 0.00 55.95 57.17 2cqi s SER -2 Cb -0.15 0.45 0.09 0.00 -1.71 0.00 0.00 66.02 64.70 2cqi s SER -2 CO 0.05 -0.14 0.45 -0.44 1.20 0.00 0.00 173.24 174.35 2cqi s SER -1 N 0.95 -0.41 0.00 5.45 0.01 -1.26 -5.10 113.70 113.34 2cqi s SER -1 Ca -0.07 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2cqi s SER -1 Cb -0.08 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.49 2cqi s SER -1 CO -0.06 -0.22 0.08 0.61 0.41 0.00 0.00 173.24 174.05 2cqi n GLY 0 N 5.16 0.90 2.74 3.44 0.00 -1.26 -4.82 105.19 111.35 2cqi n GLY 0 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.16 1.62 0.11 1.61 0.00 -1.26 -5.09 119.30 116.13 2cqi s MET 1 Ca 0.00 -2.45 0.05 0.00 0.00 0.00 0.00 55.69 53.30 2cqi s MET 1 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 34.83 32.19 2cqi s MET 1 CO 0.00 -1.22 -0.13 -1.64 0.00 0.00 0.00 175.02 172.02 2cqi s MET 2 N -0.24 0.96 -0.81 3.16 1.00 -1.26 -5.10 119.30 117.01 2cqi s MET 2 Ca 0.22 -1.18 -0.09 0.00 0.00 0.00 0.00 55.69 54.64 2cqi s MET 2 Cb -0.15 -0.83 0.21 0.00 0.00 0.00 0.00 34.83 34.05 2cqi s MET 2 CO -0.07 0.16 0.71 -1.21 0.00 0.00 0.00 175.02 174.61 2cqi s GLU 3 N -2.53 3.34 0.14 2.03 0.41 -1.26 -5.00 118.70 115.82 2cqi s GLU 3 Ca 0.07 -2.66 -0.25 0.00 -0.41 0.00 0.00 54.97 51.72 2cqi s GLU 3 Cb -0.05 -4.19 0.07 0.00 -1.78 0.00 0.00 34.13 28.17 2cqi s GLU 3 CO 0.02 -1.25 0.80 -0.51 -0.49 0.00 0.00 175.26 173.83 2cqi s ASP 4 N 1.39 -0.35 -0.15 -0.19 1.11 -1.26 -5.09 116.67 112.14 2cqi s ASP 4 Ca 0.20 -0.23 -0.12 0.00 0.18 0.00 0.00 52.55 52.58 2cqi s ASP 4 Cb -0.13 0.54 -0.08 0.00 1.07 0.00 0.00 42.92 44.32 2cqi s ASP 4 CO -0.08 -0.93 0.02 0.44 1.18 0.00 0.00 175.17 175.80 2cqi h ASP 5 N 2.00 0.00 0.00 0.27 3.32 -2.04 -3.50 116.42 116.48 2cqi h ASP 5 Ca -0.25 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2cqi h ASP 5 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2cqi h ASP 5 CO 0.30 0.90 0.00 0.61 -1.72 0.00 0.00 179.24 179.33 2cqi n GLY 6 N 1.60 0.63 3.77 2.75 0.00 -1.26 -5.14 105.19 107.55 2cqi n GLY 6 Ca -0.12 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2cqi n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cqi s GLN 7 N 0.00 3.92 0.36 1.61 1.11 -1.26 -4.96 119.66 120.44 2cqi s GLN 7 Ca 0.00 2.39 -0.27 0.00 0.01 0.00 0.00 55.36 57.49 2cqi s GLN 7 Cb 0.00 -2.80 -0.09 0.00 -1.01 0.00 0.00 33.01 29.11 2cqi s GLN 7 CO 0.00 -0.62 1.20 -1.25 0.01 0.00 0.00 175.29 174.64 2cqi s PRO 8 N -2.25 4.23 0.00 2.91 0.04 -1.26 -4.94 135.00 133.73 2cqi s PRO 8 Ca 0.57 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2cqi s PRO 8 Cb -0.43 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2cqi s PRO 8 CO 0.56 -0.20 0.55 0.54 0.04 0.00 0.00 177.00 178.49 2cqi n ARG 9 N 0.47 0.70 -4.93 4.56 1.74 -1.26 -4.62 116.66 113.32 2cqi n ARG 9 Ca 0.02 -0.68 -0.33 0.00 -0.77 0.00 0.00 57.85 56.09 2cqi n ARG 9 Cb 0.45 -0.67 -0.14 0.00 -1.02 0.00 0.00 32.46 31.08 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 -0.26 2.86 0.04 0.55 2.01 -1.26 -0.18 115.64 119.40 2cqi s THR 10 Ca 0.00 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.30 2cqi s THR 10 Cb 0.00 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2cqi s THR 10 CO 0.00 0.57 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.54 2cqi s LEU 11 N -0.30 2.16 -0.23 4.42 1.43 0.71 -1.79 118.68 125.07 2cqi s LEU 11 Ca 0.02 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 2cqi s LEU 11 Cb -0.13 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 2cqi s LEU 11 CO 0.03 0.15 0.18 -0.47 0.23 0.00 0.00 176.35 176.46 2cqi s TYR 12 N -0.79 3.33 -0.25 0.29 6.14 0.72 -1.01 117.35 125.78 2cqi s TYR 12 Ca 0.07 0.27 -0.06 0.00 0.64 0.00 0.00 57.07 57.98 2cqi s TYR 12 Cb -0.09 -2.28 -0.01 0.00 0.42 0.00 0.00 41.96 40.00 2cqi s TYR 12 CO 0.02 0.08 0.05 0.08 0.64 0.00 0.00 175.55 176.41 2cqi s VAL 13 N 1.01 4.00 0.26 3.14 1.01 0.12 -1.86 120.40 128.09 2cqi s VAL 13 Ca 0.09 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.76 2cqi s VAL 13 Cb -0.13 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2cqi s VAL 13 CO 0.04 0.30 -0.08 -0.83 0.00 0.00 0.00 175.10 174.53 2cqi s GLY 14 N 1.55 1.74 -0.48 4.51 0.00 0.44 -0.40 107.32 114.69 2cqi s GLY 14 Ca 0.05 -1.85 -0.01 0.00 0.00 0.00 0.00 44.72 42.91 2cqi s GLY 14 CO 0.02 -1.82 0.40 -2.01 0.00 0.00 0.00 173.10 169.69 2cqi n ASN 15 N -0.54 -2.84 -4.63 1.64 5.15 -1.17 -0.38 115.26 112.49 2cqi n ASN 15 Ca -0.06 -0.28 -0.35 0.00 -0.60 0.00 0.00 54.58 53.30 2cqi n ASN 15 Cb 0.63 -2.45 -0.10 0.00 -0.53 0.00 0.00 39.78 37.32 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 -3.90 3.58 0.62 1.20 1.43 -1.23 -3.88 118.68 116.50 2cqi s LEU 16 Ca 0.08 0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 53.07 2cqi s LEU 16 Cb -0.01 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 2cqi s LEU 16 CO 0.31 0.28 1.30 -0.55 0.23 0.00 0.00 176.35 177.92 2cqi s SER 17 N -0.29 4.79 0.40 2.29 0.15 -1.26 -4.18 113.70 115.59 2cqi s SER 17 Ca 0.07 2.64 0.17 0.00 0.70 0.00 0.00 55.95 59.53 2cqi s SER 17 Cb -0.12 -2.62 0.94 0.00 -1.71 0.00 0.00 66.02 62.51 2cqi s SER 17 CO 0.02 -1.88 1.46 0.03 1.20 0.00 0.00 173.24 174.06 2cqi h ARG 18 N 0.77 0.00 0.08 5.44 3.08 -1.98 0.41 114.38 122.18 2cqi h ARG 18 Ca -0.51 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.24 2cqi h ARG 18 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 2cqi h ARG 18 CO 0.54 0.00 -1.59 -0.44 -1.07 0.00 0.00 179.97 177.41 2cqi h ASP 19 N 0.00 0.28 -1.79 7.04 5.19 -1.98 -3.47 116.42 121.69 2cqi h ASP 19 Ca 0.00 -0.44 -0.66 0.00 -0.62 0.00 0.00 57.03 55.31 2cqi h ASP 19 Cb 0.58 -0.09 0.08 0.00 0.18 0.00 0.00 39.33 40.08 2cqi h ASP 19 CO 0.00 1.37 0.16 0.52 -3.12 0.00 0.00 179.24 178.17 2cqi n VAL 20 N -3.36 0.99 -4.38 -1.35 0.31 0.14 -4.98 118.33 105.70 2cqi n VAL 20 Ca -0.17 -0.25 -0.19 0.00 -0.01 0.00 0.00 64.34 63.72 2cqi n VAL 20 Cb 1.04 -0.69 -0.10 0.00 -0.91 0.00 0.00 33.84 33.17 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 -0.31 1.25 0.18 2.52 -4.23 -1.26 -4.92 115.64 108.88 2cqi s THR 21 Ca 0.73 -2.06 -0.13 0.00 -1.18 0.00 0.00 61.69 59.05 2cqi s THR 21 Cb -0.89 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 70.60 2cqi s THR 21 CO 0.54 -0.27 1.83 -0.08 -0.54 0.00 0.00 174.62 176.10 2cqi h GLU 22 N 2.36 0.70 -0.61 3.99 4.22 -1.96 -1.55 114.58 121.74 2cqi h GLU 22 Ca -0.39 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 58.95 2cqi h GLU 22 Cb 1.23 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2cqi h GLU 22 CO 0.66 0.46 0.17 -0.24 -2.18 0.00 0.00 179.01 177.89 2cqi h VAL 23 N 0.72 1.24 0.09 0.32 3.04 -1.96 -1.87 116.25 117.82 2cqi h VAL 23 Ca 0.22 -0.83 -0.00 0.00 -1.01 0.00 0.00 66.70 65.08 2cqi h VAL 23 Cb -0.03 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 2cqi h VAL 23 CO -0.07 0.32 -0.04 0.25 -1.01 0.00 0.00 177.57 177.01 2cqi h LEU 24 N 0.90 -0.10 -0.27 3.16 6.46 -1.83 -1.54 115.31 122.09 2cqi h LEU 24 Ca 0.20 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2cqi h LEU 24 Cb 0.29 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2cqi h LEU 24 CO -0.01 0.08 0.11 0.40 -0.62 0.00 0.00 178.44 178.41 2cqi h ILE 25 N -0.28 0.95 -0.50 4.05 1.08 -1.18 -1.75 117.51 119.89 2cqi h ILE 25 Ca -0.01 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 2cqi h ILE 25 Cb 0.23 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 2cqi h ILE 25 CO 0.02 0.04 0.33 -0.07 -0.69 0.00 0.00 178.15 177.78 2cqi h LEU 26 N 0.24 0.45 -0.11 1.44 3.38 -1.28 0.20 115.31 119.63 2cqi h LEU 26 Ca 0.12 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2cqi h LEU 26 Cb 0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2cqi h LEU 26 CO -0.11 0.31 -0.00 1.56 0.09 0.00 0.00 178.44 180.29 2cqi h GLN 27 N 0.52 0.20 -0.22 1.13 1.08 -0.44 0.69 115.11 118.07 2cqi h GLN 27 Ca 0.20 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2cqi h GLN 27 Cb 0.16 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2cqi h GLN 27 CO -0.05 0.46 0.02 -0.07 -0.95 0.00 0.00 178.83 178.24 2cqi h LEU 28 N -0.08 0.35 -0.75 1.46 3.38 -0.83 -2.54 115.31 116.30 2cqi h LEU 28 Ca 0.03 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 2cqi h LEU 28 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2cqi h LEU 28 CO 0.01 0.54 -0.50 -0.26 0.09 0.00 0.00 178.44 178.32 2cqi h PHE 29 N 0.15 0.38 -0.41 1.13 -1.00 -0.99 -2.99 116.94 113.21 2cqi h PHE 29 Ca 0.06 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 2cqi h PHE 29 Cb 0.34 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 2cqi h PHE 29 CO 0.02 0.75 0.16 1.03 -1.61 0.00 0.00 178.31 178.67 2cqi h SER 30 N 0.25 0.52 -0.85 2.17 0.87 0.54 -2.08 113.55 114.97 2cqi h SER 30 Ca 0.01 -0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.62 2cqi h SER 30 Cb 0.97 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.73 2cqi h SER 30 CO 0.08 0.48 0.55 1.56 -0.53 0.00 0.00 176.83 178.97 2cqi h GLN 31 N 0.58 0.78 0.01 2.24 4.20 -1.30 -2.88 115.11 118.74 2cqi h GLN 31 Ca 0.14 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2cqi h GLN 31 Cb 0.12 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2cqi h GLN 31 CO -0.01 0.52 -0.01 0.82 -0.67 0.00 0.00 178.83 179.48 2cqi h ILE 32 N 0.80 1.33 -3.47 2.54 2.04 -1.52 -3.49 117.51 115.75 2cqi h ILE 32 Ca 0.40 -1.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 2cqi h ILE 32 Cb 0.46 2.48 -0.08 0.00 -0.74 0.00 0.00 36.82 38.94 2cqi h ILE 32 CO -0.17 0.44 -0.01 -0.83 0.00 0.00 0.00 178.15 177.58 2cqi s GLY 33 N -3.97 0.39 0.04 5.37 0.00 -0.86 -5.02 107.32 103.28 2cqi s GLY 33 Ca -0.14 -0.74 -0.31 0.00 0.00 0.00 0.00 44.72 43.53 2cqi s GLY 33 CO 0.53 -0.48 1.41 2.56 0.00 0.00 0.00 173.10 177.12 2cqi s PRO 34 N -3.91 4.29 -0.24 2.90 0.04 -1.26 -3.81 135.00 133.01 2cqi s PRO 34 Ca 0.19 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.12 2cqi s PRO 34 Cb -0.02 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 2cqi s PRO 34 CO 0.09 -0.54 0.28 0.00 0.04 0.00 0.00 177.00 176.87 2cqi h LYS 36 N 7.77 -0.10 -1.70 0.00 3.64 0.33 -3.47 116.57 123.04 2cqi h LYS 36 Ca -0.35 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.07 2cqi h LYS 36 Cb 1.17 0.02 -0.24 0.00 -0.41 0.00 0.00 32.23 32.77 2cqi h LYS 36 CO 0.65 0.15 0.40 0.45 -2.27 0.00 0.00 179.45 178.83 2cqi s SER 37 N -5.34 -0.50 -0.06 4.20 0.15 -1.19 -5.02 113.70 105.93 2cqi s SER 37 Ca -0.15 0.81 0.02 0.00 0.70 0.00 0.00 55.95 57.33 2cqi s SER 37 Cb 0.04 0.76 0.01 0.00 -1.71 0.00 0.00 66.02 65.12 2cqi s SER 37 CO 0.65 -0.28 -0.12 0.00 1.20 0.00 0.00 173.24 174.69 2cqi s LYS 39 N 0.68 2.11 -0.29 0.00 2.20 -0.67 -4.94 119.74 118.83 2cqi s LYS 39 Ca -0.14 -0.99 -0.18 0.00 -0.36 0.00 0.00 55.97 54.30 2cqi s LYS 39 Cb -0.16 -2.57 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 2cqi s LYS 39 CO 0.03 -0.47 0.52 1.41 -0.36 0.00 0.00 175.35 176.49 2cqi s MET 40 N 1.31 3.93 -0.23 4.03 -2.45 -1.26 -0.24 119.30 124.39 2cqi s MET 40 Ca -0.03 0.18 -0.06 0.00 -1.25 0.00 0.00 55.69 54.53 2cqi s MET 40 Cb -0.17 -3.70 -0.02 0.00 1.25 0.00 0.00 34.83 32.18 2cqi s MET 40 CO -0.08 -0.46 0.03 0.42 1.05 0.00 0.00 175.02 175.99 2cqi s ILE 41 N 2.37 4.03 -0.22 10.11 1.01 0.59 -4.96 121.20 134.13 2cqi s ILE 41 Ca 0.21 -0.27 0.16 0.00 0.00 0.00 0.00 60.65 60.75 2cqi s ILE 41 Cb -0.15 -2.86 0.46 0.00 0.01 0.00 0.00 42.46 39.92 2cqi s ILE 41 CO 0.11 0.37 1.17 0.35 0.00 0.00 0.00 174.94 176.94 2cqi n THR 42 N 4.78 1.62 -1.71 2.92 -2.24 -1.26 -2.11 114.28 116.28 2cqi n THR 42 Ca -0.17 -3.07 -0.12 0.00 -2.27 0.00 0.00 64.05 58.43 2cqi n THR 42 Cb 0.51 0.19 0.12 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.54 2.53 -4.45 -0.78 0.28 -1.26 -5.02 120.64 111.40 2cqi n GLU 43 Ca 0.21 -3.62 -0.30 0.00 -0.16 0.00 0.00 57.16 53.29 2cqi n GLU 43 Cb 0.90 -1.98 -0.06 0.00 1.43 0.00 0.00 31.44 31.72 2cqi n GLU 43 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2cqi s HIS 44 N -3.43 1.96 0.43 -1.84 3.76 -1.26 -5.09 115.29 109.82 2cqi s HIS 44 Ca 0.47 -0.85 -0.13 0.00 -0.15 0.00 0.00 55.06 54.39 2cqi s HIS 44 Cb 0.41 -1.75 -0.11 0.00 1.11 0.00 0.00 32.58 32.24 2cqi s HIS 44 CO -0.01 0.07 -0.17 2.41 -0.85 0.00 0.00 174.74 176.19 2cqi n THR 45 N -1.36 0.00 -0.63 1.30 -1.04 -1.26 -4.57 114.28 106.72 2cqi n THR 45 Ca -0.11 -0.37 0.48 0.00 -2.04 0.00 0.00 64.05 62.01 2cqi n THR 45 Cb 0.66 0.00 0.74 0.00 -1.82 0.00 0.00 70.33 69.91 2cqi n THR 45 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2cqi n SER 46 N 1.96 0.02 -4.34 8.00 7.64 -1.26 -4.56 113.62 121.07 2cqi n SER 46 Ca 0.05 0.94 -0.44 0.00 1.01 0.00 0.00 58.87 60.43 2cqi n SER 46 Cb 0.36 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 63.08 2cqi n SER 46 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cqi n ASN 47 N -3.82 -2.24 -4.29 6.43 2.85 -1.26 -4.75 115.26 108.17 2cqi n ASN 47 Ca 0.41 0.91 -0.42 0.00 -0.11 0.00 0.00 54.58 55.37 2cqi n ASN 47 Cb 1.82 -0.92 -0.00 0.00 1.24 0.00 0.00 39.78 41.91 2cqi n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2cqi n ASP 48 N 2.16 -2.97 -4.19 1.20 5.68 -1.26 -4.92 116.55 112.25 2cqi n ASP 48 Ca 0.13 0.79 -0.29 0.00 -0.50 0.00 0.00 54.79 54.92 2cqi n ASP 48 Cb 0.36 -0.88 0.21 0.00 -1.14 0.00 0.00 41.12 39.67 2cqi n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2cqi s PRO 49 N -1.00 -0.57 -0.09 0.11 0.04 -1.26 -4.64 135.00 127.58 2cqi s PRO 49 Ca 0.59 0.17 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 2cqi s PRO 49 Cb -0.62 -1.65 0.04 0.00 0.04 0.00 0.00 34.50 32.31 2cqi s PRO 49 CO 0.63 -3.33 0.41 1.52 0.04 0.00 0.00 177.00 176.28 2cqi s TYR 50 N -2.98 -0.39 0.15 0.56 -0.85 -0.90 -3.04 117.35 109.91 2cqi s TYR 50 Ca 0.69 0.82 0.06 0.00 -0.52 0.00 0.00 57.07 58.12 2cqi s TYR 50 Cb -0.14 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 2cqi s TYR 50 CO 0.57 -0.33 -0.14 0.00 -1.52 0.00 0.00 175.55 174.13 2cqi s PHE 52 N -2.57 3.12 -0.14 0.00 0.08 0.67 0.14 117.98 119.28 2cqi s PHE 52 Ca 0.15 0.16 -0.00 0.00 0.12 0.00 0.00 56.93 57.35 2cqi s PHE 52 Cb -0.03 -1.76 0.03 0.00 -0.57 0.00 0.00 43.02 40.69 2cqi s PHE 52 CO 0.04 0.45 -0.08 0.08 -0.10 0.00 0.00 175.22 175.60 2cqi s VAL 53 N -0.89 1.19 -0.10 -0.44 1.01 -0.18 -1.67 120.40 119.32 2cqi s VAL 53 Ca 0.14 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 2cqi s VAL 53 Cb -0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2cqi s VAL 53 CO 0.03 0.30 -0.08 -0.70 0.00 0.00 0.00 175.10 174.65 2cqi s GLU 54 N 1.63 3.11 0.35 2.72 2.12 -0.73 -0.21 118.70 127.69 2cqi s GLU 54 Ca 0.03 -0.58 0.08 0.00 0.36 0.00 0.00 54.97 54.86 2cqi s GLU 54 Cb -0.14 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 2cqi s GLU 54 CO -0.08 0.46 0.24 -0.06 -0.54 0.00 0.00 175.26 175.27 2cqi s PHE 55 N -0.26 2.79 0.10 5.30 0.40 0.74 0.96 117.98 128.01 2cqi s PHE 55 Ca 0.03 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 2cqi s PHE 55 Cb -0.13 -1.79 -0.24 0.00 0.51 0.00 0.00 43.02 41.38 2cqi s PHE 55 CO 0.03 0.21 1.21 1.88 0.70 0.00 0.00 175.22 179.25 2cqi h TYR 56 N 1.35 0.20 -2.88 0.36 0.05 -1.87 -3.42 116.97 110.75 2cqi h TYR 56 Ca -0.44 -0.14 -0.61 0.00 0.05 0.00 0.00 58.73 57.59 2cqi h TYR 56 Cb 1.25 -0.01 -0.17 0.00 1.01 0.00 0.00 36.73 38.82 2cqi h TYR 56 CO 0.57 1.11 -0.79 -1.21 -1.05 0.00 0.00 178.16 176.79 2cqi s GLU 57 N -2.69 1.53 0.15 4.88 0.41 -1.26 -5.05 118.70 116.67 2cqi s GLU 57 Ca -0.01 -1.59 -0.05 0.00 -0.41 0.00 0.00 54.97 52.91 2cqi s GLU 57 Cb 0.09 -1.72 -0.03 0.00 -1.78 0.00 0.00 34.13 30.69 2cqi s GLU 57 CO 0.85 0.35 1.37 1.25 -0.49 0.00 0.00 175.26 178.59 2cqi h HIS 58 N 2.88 0.71 -0.85 1.61 -0.00 -1.90 -2.86 115.15 114.75 2cqi h HIS 58 Ca -0.43 -0.33 -0.02 0.00 -0.00 0.00 0.00 60.37 59.59 2cqi h HIS 58 Cb 1.22 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.49 2cqi h HIS 58 CO 0.73 1.11 0.47 0.07 -0.00 0.00 0.00 177.93 180.31 2cqi h ARG 59 N 0.34 1.18 -0.24 5.26 0.11 -1.96 -1.76 114.38 117.30 2cqi h ARG 59 Ca -0.05 -0.14 -0.05 0.00 0.10 0.00 0.00 59.98 59.85 2cqi h ARG 59 Cb 1.39 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 2cqi h ARG 59 CO 0.14 0.86 -0.05 -0.44 0.10 0.00 0.00 179.97 180.58 2cqi h ASP 60 N 1.18 0.46 -0.66 0.08 5.19 -1.98 -1.45 116.42 119.25 2cqi h ASP 60 Ca 0.30 -0.36 0.05 0.00 -0.62 0.00 0.00 57.03 56.40 2cqi h ASP 60 Cb 0.03 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.36 2cqi h ASP 60 CO -0.05 0.71 0.37 0.00 -3.12 0.00 0.00 179.24 177.15 2cqi h ALA 61 N 0.76 0.88 -0.38 3.45 0.00 -1.27 0.15 119.26 122.85 2cqi h ALA 61 Ca 0.06 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2cqi h ALA 61 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2cqi h ALA 61 CO 0.02 0.05 -0.26 0.00 0.00 0.00 0.00 179.25 179.07 2cqi h ALA 62 N 1.34 0.82 -0.20 0.00 0.00 -1.27 0.24 119.26 120.19 2cqi h ALA 62 Ca 0.29 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2cqi h ALA 62 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2cqi h ALA 62 CO -0.17 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 2cqi h ALA 63 N 1.02 0.28 -0.09 0.00 0.00 -0.56 -2.41 119.26 117.50 2cqi h ALA 63 Ca 0.09 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 2cqi h ALA 63 Cb 0.78 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2cqi h ALA 63 CO 0.06 0.04 -0.72 0.00 0.00 0.00 0.00 179.25 178.64 2cqi h ALA 64 N 0.76 0.58 0.02 0.00 0.00 -0.71 -2.18 119.26 117.73 2cqi h ALA 64 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.38 2cqi h ALA 64 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2cqi h ALA 64 CO 0.02 0.75 -0.07 1.25 0.00 0.00 0.00 179.25 181.20 2cqi h LEU 65 N 0.31 -0.19 -0.40 0.00 5.85 -0.49 0.54 115.31 120.92 2cqi h LEU 65 Ca -0.03 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2cqi h LEU 65 Cb 1.29 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 2cqi h LEU 65 CO 0.13 -0.11 -0.15 0.00 -0.34 0.00 0.00 178.44 177.97 2cqi h ALA 66 N 0.83 0.56 0.00 1.25 0.00 -1.48 1.26 119.26 121.68 2cqi h ALA 66 Ca 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2cqi h ALA 66 Cb 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cqi h ALA 66 CO -0.06 0.48 -0.16 0.00 0.00 0.00 0.00 179.25 179.51 2cqi h ALA 67 N 0.83 1.13 0.00 0.00 0.00 -1.18 -2.83 119.26 117.21 2cqi h ALA 67 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2cqi h ALA 67 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2cqi h ALA 67 CO 0.05 0.21 -1.78 -1.33 0.00 0.00 0.00 179.25 176.40 2cqi n MET 68 N -3.48 0.60 -1.54 0.00 2.81 0.19 -4.69 117.12 111.00 2cqi n MET 68 Ca -0.01 -0.16 -0.38 0.00 -1.81 0.00 0.00 57.70 55.34 2cqi n MET 68 Cb 0.33 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.33 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 -2.10 2.16 -0.78 7.83 5.15 0.43 -0.93 115.26 127.02 2cqi n ASN 69 Ca -0.03 -0.30 -0.05 0.00 -0.60 0.00 0.00 54.58 53.61 2cqi n ASN 69 Cb 0.49 -1.48 0.01 0.00 -0.53 0.00 0.00 39.78 38.26 2cqi n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cqi n GLY 70 N 6.08 0.38 3.83 8.20 0.00 0.14 -4.82 105.19 119.00 2cqi n GLY 70 Ca 0.40 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.67 4.15 -0.34 1.61 3.52 -0.11 -4.64 118.95 118.46 2cqi s ARG 71 Ca 0.05 0.91 -0.27 0.00 -0.13 0.00 0.00 55.73 56.29 2cqi s ARG 71 Cb -0.02 -2.37 0.01 0.00 -1.56 0.00 0.00 34.95 31.01 2cqi s ARG 71 CO 0.07 0.10 0.99 0.15 -0.81 0.00 0.00 175.30 175.79 2cqi s LYS 72 N -2.96 3.96 -0.08 5.12 -0.14 -1.26 -0.16 119.74 124.22 2cqi s LYS 72 Ca 0.57 0.81 -0.01 0.00 -1.36 0.00 0.00 55.97 55.98 2cqi s LYS 72 Cb -0.11 -3.77 0.03 0.00 -1.68 0.00 0.00 37.83 32.30 2cqi s LYS 72 CO 0.16 -0.92 -0.01 0.42 -0.76 0.00 0.00 175.35 174.24 2cqi s ILE 73 N 3.55 0.47 -1.45 2.17 1.01 -0.27 -4.81 121.20 121.87 2cqi s ILE 73 Ca 0.41 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 2cqi s ILE 73 Cb -0.12 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.75 2cqi s ILE 73 CO 0.17 0.28 0.91 0.18 0.00 0.00 0.00 174.94 176.48 2cqi n LEU 74 N 5.12 -3.07 0.00 2.97 4.77 -1.26 -1.02 117.00 124.51 2cqi n LEU 74 Ca -0.08 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 2cqi n LEU 74 Cb 0.50 -3.00 0.00 0.00 -2.33 0.00 0.00 43.42 38.59 2cqi n LEU 74 CO 0.11 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2cqi n GLY 75 N -1.78 0.45 3.05 -0.72 0.00 -1.26 -4.93 105.19 100.00 2cqi n GLY 75 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.60 2.30 -0.11 1.61 2.20 -0.19 -5.10 119.74 119.84 2cqi s LYS 76 Ca 0.00 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 2cqi s LYS 76 Cb 0.00 -1.99 -0.03 0.00 -1.51 0.00 0.00 37.83 34.30 2cqi s LYS 76 CO 0.00 -0.11 1.42 -2.00 -0.36 0.00 0.00 175.35 174.30 2cqi s GLU 77 N 1.11 4.22 -0.11 4.03 2.12 -1.26 -1.12 118.70 127.69 2cqi s GLU 77 Ca -0.03 1.88 -0.10 0.00 0.36 0.00 0.00 54.97 57.07 2cqi s GLU 77 Cb -0.14 -3.84 -0.05 0.00 0.26 0.00 0.00 34.13 30.36 2cqi s GLU 77 CO -0.04 -0.75 0.23 0.14 -0.54 0.00 0.00 175.26 174.29 2cqi s VAL 78 N 3.65 5.35 -0.16 3.70 -7.23 0.78 -4.79 120.40 121.69 2cqi s VAL 78 Ca 0.62 0.41 -0.10 0.00 -1.81 0.00 0.00 61.98 61.10 2cqi s VAL 78 Cb -0.27 -3.52 -0.05 0.00 0.56 0.00 0.00 36.38 33.11 2cqi s VAL 78 CO 0.21 0.55 0.17 -1.59 -0.31 0.00 0.00 175.10 174.13 2cqi s LYS 79 N -0.63 4.00 -0.11 4.82 -2.85 0.49 0.27 119.74 125.73 2cqi s LYS 79 Ca 0.16 -0.12 0.01 0.00 -1.00 0.00 0.00 55.97 55.03 2cqi s LYS 79 Cb -0.13 -3.35 0.02 0.00 -2.06 0.00 0.00 37.83 32.30 2cqi s LYS 79 CO 0.05 0.43 -0.12 0.08 0.10 0.00 0.00 175.35 175.89 2cqi s VAL 80 N -0.04 1.30 0.18 1.79 1.01 -1.26 -0.42 120.40 122.96 2cqi s VAL 80 Ca 0.12 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2cqi s VAL 80 Cb -0.12 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2cqi s VAL 80 CO 0.01 0.40 0.03 0.21 0.00 0.00 0.00 175.10 175.75 2cqi s ASN 81 N 1.20 1.05 -0.06 3.32 3.84 -0.78 -4.50 114.94 119.01 2cqi s ASN 81 Ca -0.03 -1.21 -0.30 0.00 0.21 0.00 0.00 52.86 51.53 2cqi s ASN 81 Cb -0.14 0.16 -0.06 0.00 -0.55 0.00 0.00 41.25 40.66 2cqi s ASN 81 CO -0.04 -0.62 1.66 0.26 -2.79 0.00 0.00 177.10 175.57 2cqi s TRP 82 N -3.74 1.96 -0.55 0.43 0.52 -1.26 -0.20 118.94 116.10 2cqi s TRP 82 Ca 0.26 0.19 -0.28 0.00 0.02 0.00 0.00 56.10 56.30 2cqi s TRP 82 Cb 0.07 -3.92 0.01 0.00 -1.15 0.00 0.00 33.47 28.47 2cqi s TRP 82 CO 0.05 -3.86 1.46 0.00 0.02 0.00 0.00 176.95 174.62 2cqi s ALA 83 N 4.09 2.77 -0.16 0.98 0.00 -0.74 -4.78 121.76 123.92 2cqi s ALA 83 Ca 0.74 -0.63 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 2cqi s ALA 83 Cb -0.33 -4.11 -0.02 0.00 0.00 0.00 0.00 23.12 18.65 2cqi s ALA 83 CO 0.30 -2.98 0.70 -0.08 0.00 0.00 0.00 175.76 173.70 2cqi s THR 84 N 6.28 4.99 0.50 0.00 -1.32 -1.26 -4.80 115.64 120.02 2cqi s THR 84 Ca 0.54 1.36 -0.23 0.00 -1.21 0.00 0.00 61.69 62.16 2cqi s THR 84 Cb -0.11 -4.02 -0.06 0.00 -1.51 0.00 0.00 72.50 66.80 2cqi s THR 84 CO 0.25 0.11 1.29 0.42 -2.21 0.00 0.00 174.62 174.48 2cqi s THR 85 N 1.76 2.50 0.39 5.08 -4.23 -1.26 -4.97 115.64 114.90 2cqi s THR 85 Ca 0.33 0.38 -0.26 0.00 -1.18 0.00 0.00 61.69 60.97 2cqi s THR 85 Cb -0.16 -3.20 -0.09 0.00 1.34 0.00 0.00 72.50 70.39 2cqi s THR 85 CO 0.12 0.00 1.19 -2.16 -0.54 0.00 0.00 174.62 173.24 2cqi s PRO 86 N -2.75 4.11 -0.30 3.99 0.04 -1.26 -5.04 135.00 133.79 2cqi s PRO 86 Ca 0.67 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 63.47 2cqi s PRO 86 Cb -0.36 -2.75 0.17 0.00 0.04 0.00 0.00 34.50 31.59 2cqi s PRO 86 CO 0.43 -0.30 1.00 0.45 0.04 0.00 0.00 177.00 178.63 2cqi s SER 87 N -1.01 -0.56 0.26 6.66 0.15 -1.26 -5.17 113.70 112.77 2cqi s SER 87 Ca 0.55 0.73 0.01 0.00 0.70 0.00 0.00 55.95 57.95 2cqi s SER 87 Cb -0.33 1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 65.57 2cqi s SER 87 CO 0.41 -0.11 0.43 -0.94 1.20 0.00 0.00 173.24 174.24 2cqi s SER 88 N 2.47 6.33 -0.36 5.45 1.04 -1.26 -5.02 113.70 122.35 2cqi s SER 88 Ca -0.02 0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.79 2cqi s SER 88 Cb -0.06 -1.97 0.53 0.00 0.10 0.00 0.00 66.02 64.62 2cqi s SER 88 CO -0.17 -0.14 1.60 0.00 0.98 0.00 0.00 173.24 175.51 2cqi n GLN 89 N -1.27 2.14 -0.02 4.02 -0.00 -1.26 -4.62 117.38 116.38 2cqi n GLN 89 Ca -0.06 -3.25 -0.14 0.00 -0.00 0.00 0.00 57.00 53.55 2cqi n GLN 89 Cb 0.56 -1.98 -0.02 0.00 -0.00 0.00 0.00 30.24 28.80 2cqi n GLN 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 2cqi h LYS 90 N 1.19 0.70 0.08 2.61 5.09 -2.08 -3.31 116.57 120.84 2cqi h LYS 90 Ca 0.36 -0.51 -0.11 0.00 0.09 0.00 0.00 60.65 60.48 2cqi h LYS 90 Cb 1.85 0.09 0.01 0.00 0.10 0.00 0.00 32.23 34.27 2cqi h LYS 90 CO 0.69 1.13 -0.48 1.03 -2.09 0.00 0.00 179.45 179.74 2cqi h SER 91 N 0.51 0.25 -5.00 7.07 0.87 -2.04 -3.51 113.55 111.70 2cqi h SER 91 Ca -0.02 -0.96 0.00 0.00 -1.23 0.00 0.00 61.79 59.58 2cqi h SER 91 Cb 1.27 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2cqi h SER 91 CO 0.13 1.23 0.00 0.61 -0.53 0.00 0.00 176.83 178.27 2cqi n GLY 92 N 1.64 -1.64 0.00 5.77 0.00 -1.25 -4.54 105.19 105.17 2cqi n GLY 92 Ca -0.13 -2.16 0.06 0.00 0.00 0.00 0.00 46.02 43.79 2cqi n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqi n PRO 93 N -0.13 0.49 -3.06 1.61 -0.04 -1.26 -4.85 135.00 127.76 2cqi n PRO 93 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2cqi n PRO 93 Cb 0.00 -1.36 0.07 0.00 -0.04 0.00 0.00 33.50 32.16 2cqi n PRO 93 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cqi n SER 94 N -0.86 -3.53 -4.06 3.54 7.64 -1.26 -5.04 113.62 110.04 2cqi n SER 94 Ca 0.09 -0.53 -0.09 0.00 1.01 0.00 0.00 58.87 59.34 2cqi n SER 94 Cb 0.04 -4.28 -0.09 0.00 -1.01 0.00 0.00 64.21 58.87 2cqi n SER 94 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cqi s SER 95 N -3.79 0.26 0.00 6.43 0.01 -1.26 -5.28 113.70 110.07 2cqi s SER 95 Ca 0.15 -1.03 0.26 0.00 1.31 0.00 0.00 55.95 56.64 2cqi s SER 95 Cb -0.02 0.31 0.57 0.00 0.21 0.00 0.00 66.02 67.10 2cqi s SER 95 CO 0.60 -0.74 1.47 0.61 0.41 0.00 0.00 173.24 175.59