#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 6.15 0.10 1.61 1.04 -1.26 -5.03 113.70 116.31 2cqi s SER -5 Ca 0.00 2.73 0.10 0.00 0.48 0.00 0.00 55.95 59.26 2cqi s SER -5 Cb 0.00 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 2cqi s SER -5 CO 0.00 -0.97 -0.24 -0.94 0.98 0.00 0.00 173.24 172.07 2cqi s SER -4 N -0.69 3.48 0.00 7.02 1.04 -1.26 -4.86 113.70 118.43 2cqi s SER -4 Ca 0.59 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2cqi s SER -4 Cb -0.40 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.37 2cqi s SER -4 CO 0.51 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.54 2cqi n GLY -3 N 1.14 0.84 3.61 7.32 0.00 -1.26 -5.07 105.19 111.78 2cqi n GLY -3 Ca -0.17 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 2cqi n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqi s SER -2 N -2.09 6.55 -0.07 1.61 0.01 -1.26 -5.04 113.70 113.41 2cqi s SER -2 Ca 0.00 0.59 -0.01 0.00 1.31 0.00 0.00 55.95 57.84 2cqi s SER -2 Cb 0.00 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.92 2cqi s SER -2 CO 0.00 -0.43 -0.02 -0.94 0.41 0.00 0.00 173.24 172.26 2cqi s SER -1 N 1.55 1.56 -0.39 2.44 1.04 -1.26 -5.11 113.70 113.53 2cqi s SER -1 Ca 0.26 -0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.50 2cqi s SER -1 Cb -0.15 -0.51 0.08 0.00 0.10 0.00 0.00 66.02 65.54 2cqi s SER -1 CO 0.10 -0.15 0.19 -0.83 0.98 0.00 0.00 173.24 173.53 2cqi s GLY 0 N 1.70 1.94 0.14 7.32 0.00 -1.26 -4.98 107.32 112.18 2cqi s GLY 0 Ca 0.02 -2.21 -0.24 0.00 0.00 0.00 0.00 44.72 42.28 2cqi s GLY 0 CO -0.05 0.94 1.63 -0.33 0.00 0.00 0.00 173.10 175.29 2cqi h MET 1 N 8.20 -0.30 -6.09 2.90 2.07 -2.05 -3.46 114.93 116.19 2cqi h MET 1 Ca -0.19 0.02 -0.44 0.00 -2.07 0.00 0.00 59.70 57.02 2cqi h MET 1 Cb 1.07 0.07 0.04 0.00 -1.87 0.00 0.00 31.60 30.91 2cqi h MET 1 CO 0.69 -0.20 -0.72 -0.12 1.07 0.00 0.00 176.91 177.63 2cqi n MET 2 N -5.38 -6.65 -3.55 1.72 0.00 -1.26 -4.97 117.12 97.03 2cqi n MET 2 Ca -0.03 0.70 -0.13 0.00 -0.00 0.00 0.00 57.70 58.25 2cqi n MET 2 Cb 0.29 -5.67 -0.11 0.00 0.00 0.00 0.00 33.22 27.73 2cqi n MET 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2cqi s GLU 3 N -6.47 0.23 -0.09 2.12 2.12 -1.26 -5.14 118.70 110.21 2cqi s GLU 3 Ca 0.62 0.60 -0.04 0.00 0.36 0.00 0.00 54.97 56.51 2cqi s GLU 3 Cb -0.30 -0.38 0.04 0.00 0.26 0.00 0.00 34.13 33.76 2cqi s GLU 3 CO 0.78 -0.46 0.20 0.34 -0.54 0.00 0.00 175.26 175.58 2cqi s ASP 4 N 2.45 -0.07 -0.57 -1.70 -1.08 -1.26 -5.10 116.67 109.34 2cqi s ASP 4 Ca 0.05 0.41 0.04 0.00 -0.52 0.00 0.00 52.55 52.53 2cqi s ASP 4 Cb -0.14 0.32 0.15 0.00 -1.46 0.00 0.00 42.92 41.79 2cqi s ASP 4 CO -0.12 -0.17 0.37 -0.62 0.52 0.00 0.00 175.17 175.15 2cqi s ASP 5 N 1.39 4.03 0.00 -0.34 2.15 -1.26 -4.97 116.67 117.67 2cqi s ASP 5 Ca -0.08 -3.32 -0.03 0.00 0.43 0.00 0.00 52.55 49.56 2cqi s ASP 5 Cb -0.11 -1.36 -0.11 0.00 -0.30 0.00 0.00 42.92 41.04 2cqi s ASP 5 CO -0.07 -0.16 2.44 0.61 -0.17 0.00 0.00 175.17 177.81 2cqi n GLY 6 N 2.65 2.46 3.10 2.66 0.00 -1.26 -4.68 105.19 110.13 2cqi n GLY 6 Ca 0.16 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 0.78 2.85 0.24 1.61 -0.21 -1.26 -5.07 119.66 118.60 2cqi s GLN 7 Ca 0.28 -2.81 -0.30 0.00 0.02 0.00 0.00 55.36 52.56 2cqi s GLN 7 Cb 0.13 -3.83 -0.09 0.00 1.00 0.00 0.00 33.01 30.22 2cqi s GLN 7 CO 0.00 -1.21 1.27 -1.25 -2.12 0.00 0.00 175.29 171.98 2cqi s PRO 8 N -0.53 4.42 -0.12 2.91 0.04 -1.26 -4.83 135.00 135.63 2cqi s PRO 8 Ca 0.21 2.05 0.17 0.00 0.04 0.00 0.00 61.00 63.46 2cqi s PRO 8 Cb -0.15 -3.17 0.40 0.00 0.04 0.00 0.00 34.50 31.62 2cqi s PRO 8 CO -0.07 -0.16 1.19 0.54 0.04 0.00 0.00 177.00 178.54 2cqi n ARG 9 N 1.96 0.91 -4.88 4.56 1.74 -1.26 -4.55 116.66 115.14 2cqi n ARG 9 Ca 0.03 -2.68 -0.27 0.00 -0.77 0.00 0.00 57.85 54.16 2cqi n ARG 9 Cb 0.43 -0.97 -0.16 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.88 1.53 -0.03 0.55 2.01 -1.26 -0.16 115.64 116.41 2cqi s THR 10 Ca 0.34 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2cqi s THR 10 Cb 0.35 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2cqi s THR 10 CO -0.10 0.44 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.36 2cqi s LEU 11 N 0.27 1.95 -0.23 4.42 1.43 0.39 -1.33 118.68 125.58 2cqi s LEU 11 Ca -0.10 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 2cqi s LEU 11 Cb -0.14 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 2cqi s LEU 11 CO 0.04 0.16 0.31 -0.47 0.23 0.00 0.00 176.35 176.62 2cqi s TYR 12 N -0.12 3.33 -0.25 0.29 6.14 0.51 -0.59 117.35 126.65 2cqi s TYR 12 Ca 0.01 0.44 -0.07 0.00 0.64 0.00 0.00 57.07 58.09 2cqi s TYR 12 Cb -0.09 -2.44 -0.02 0.00 0.42 0.00 0.00 41.96 39.82 2cqi s TYR 12 CO 0.01 -0.02 0.06 0.08 0.64 0.00 0.00 175.55 176.32 2cqi s VAL 13 N 1.35 4.22 0.37 3.14 1.01 0.89 -2.02 120.40 129.37 2cqi s VAL 13 Ca 0.14 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2cqi s VAL 13 Cb -0.15 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 2cqi s VAL 13 CO 0.07 0.32 0.05 -0.83 0.00 0.00 0.00 175.10 174.71 2cqi s GLY 14 N 1.60 2.34 -0.77 4.51 0.00 0.57 -0.54 107.32 115.02 2cqi s GLY 14 Ca 0.06 -1.90 -0.04 0.00 0.00 0.00 0.00 44.72 42.84 2cqi s GLY 14 CO 0.03 -1.93 0.67 -2.01 0.00 0.00 0.00 173.10 169.86 2cqi n ASN 15 N -0.88 -4.06 -4.86 1.64 5.15 -1.20 -0.33 115.26 110.70 2cqi n ASN 15 Ca -0.05 -0.32 -0.36 0.00 -0.60 0.00 0.00 54.58 53.25 2cqi n ASN 15 Cb 0.67 -3.15 -0.06 0.00 -0.53 0.00 0.00 39.78 36.71 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 -4.65 4.40 0.48 1.20 1.43 -1.21 -4.04 118.68 116.28 2cqi s LEU 16 Ca 0.28 0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 53.91 2cqi s LEU 16 Cb -0.12 -2.68 -0.07 0.00 0.03 0.00 0.00 46.19 43.35 2cqi s LEU 16 CO 0.42 0.27 1.11 -0.55 0.23 0.00 0.00 176.35 177.83 2cqi s SER 17 N -1.45 6.16 0.59 2.29 0.15 -1.26 -4.00 113.70 116.18 2cqi s SER 17 Ca 0.27 2.15 0.29 0.00 0.70 0.00 0.00 55.95 59.36 2cqi s SER 17 Cb -0.14 -2.58 1.42 0.00 -1.71 0.00 0.00 66.02 63.00 2cqi s SER 17 CO 0.14 -0.91 1.82 -0.09 1.20 0.00 0.00 173.24 175.40 2cqi h ARG 18 N 1.76 0.00 -0.03 5.44 1.12 -1.99 0.49 114.38 121.18 2cqi h ARG 18 Ca -0.49 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.17 2cqi h ARG 18 Cb 1.24 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.20 2cqi h ARG 18 CO 0.59 0.00 -0.86 -0.44 -3.11 0.00 0.00 179.97 176.15 2cqi h ASP 19 N 0.00 0.50 -1.81 -3.80 5.19 -1.99 -3.45 116.42 111.05 2cqi h ASP 19 Ca 0.27 -0.37 -0.66 0.00 -0.62 0.00 0.00 57.03 55.64 2cqi h ASP 19 Cb 1.44 -0.15 0.07 0.00 0.18 0.00 0.00 39.33 40.88 2cqi h ASP 19 CO -0.00 1.15 0.25 0.52 -3.12 0.00 0.00 179.24 178.04 2cqi n VAL 20 N -3.77 0.75 -4.38 -1.35 0.31 0.17 -4.98 118.33 105.08 2cqi n VAL 20 Ca -0.06 -0.19 -0.20 0.00 -0.01 0.00 0.00 64.34 63.88 2cqi n VAL 20 Cb 0.79 -0.75 -0.10 0.00 -0.91 0.00 0.00 33.84 32.86 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 -0.11 1.96 0.22 2.52 -4.23 -1.26 -4.92 115.64 109.82 2cqi s THR 21 Ca 0.76 -2.25 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 2cqi s THR 21 Cb -0.90 -2.10 0.16 0.00 1.34 0.00 0.00 72.50 71.00 2cqi s THR 21 CO 0.52 -0.52 1.77 -0.08 -0.54 0.00 0.00 174.62 175.77 2cqi h GLU 22 N 2.53 0.52 -0.47 3.99 4.22 -1.96 -0.91 114.58 122.50 2cqi h GLU 22 Ca -0.39 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 58.96 2cqi h GLU 22 Cb 1.23 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2cqi h GLU 22 CO 0.61 0.34 0.06 -0.24 -2.18 0.00 0.00 179.01 177.60 2cqi h VAL 23 N 0.53 1.22 0.09 0.32 3.04 -1.96 -2.20 116.25 117.28 2cqi h VAL 23 Ca 0.32 -0.85 -0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2cqi h VAL 23 Cb 0.35 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2cqi h VAL 23 CO -0.27 0.31 -0.04 0.25 -1.01 0.00 0.00 177.57 176.81 2cqi h LEU 24 N 0.70 -0.10 -0.26 3.16 6.46 -1.60 -1.25 115.31 122.42 2cqi h LEU 24 Ca 0.15 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2cqi h LEU 24 Cb 0.34 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2cqi h LEU 24 CO 0.01 0.03 0.13 0.40 -0.62 0.00 0.00 178.44 178.39 2cqi h ILE 25 N -0.22 1.00 -0.17 4.05 1.08 -1.21 -1.68 117.51 120.36 2cqi h ILE 25 Ca -0.01 -0.09 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 2cqi h ILE 25 Cb 0.19 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 2cqi h ILE 25 CO 0.02 0.05 0.12 -0.07 -0.69 0.00 0.00 178.15 177.58 2cqi h LEU 26 N 0.27 0.14 -0.08 1.44 3.38 -1.31 0.55 115.31 119.70 2cqi h LEU 26 Ca 0.11 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2cqi h LEU 26 Cb 0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2cqi h LEU 26 CO -0.07 0.10 -0.05 1.56 0.09 0.00 0.00 178.44 180.07 2cqi h GLN 27 N 0.17 0.17 -0.17 1.13 1.08 -0.35 0.22 115.11 117.36 2cqi h GLN 27 Ca 0.07 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 2cqi h GLN 27 Cb 0.08 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2cqi h GLN 27 CO -0.01 0.56 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.34 2cqi h LEU 28 N -0.22 0.32 -0.97 1.46 3.38 -0.86 -2.95 115.31 115.46 2cqi h LEU 28 Ca 0.02 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 2cqi h LEU 28 Cb 0.52 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2cqi h LEU 28 CO 0.01 0.59 -0.23 -0.26 0.09 0.00 0.00 178.44 178.64 2cqi h PHE 29 N 0.05 0.53 -0.71 1.13 -1.00 -0.96 -2.81 116.94 113.16 2cqi h PHE 29 Ca 0.05 -0.11 0.05 0.00 2.81 0.00 0.00 57.97 60.77 2cqi h PHE 29 Cb 0.44 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.83 2cqi h PHE 29 CO 0.04 0.67 0.47 1.03 -1.61 0.00 0.00 178.31 178.92 2cqi h SER 30 N 0.42 0.70 -0.62 2.17 0.87 -0.45 -1.01 113.55 115.64 2cqi h SER 30 Ca 0.06 -0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.70 2cqi h SER 30 Cb 0.64 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 2cqi h SER 30 CO 0.05 0.47 0.41 1.56 -0.53 0.00 0.00 176.83 178.79 2cqi h GLN 31 N 0.81 0.51 0.00 2.24 4.20 -1.33 -2.81 115.11 118.73 2cqi h GLN 31 Ca 0.29 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 2cqi h GLN 31 Cb 0.15 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2cqi h GLN 31 CO -0.09 0.34 -0.00 0.82 -0.67 0.00 0.00 178.83 179.23 2cqi h ILE 32 N 0.53 1.70 -3.09 2.54 2.04 -1.32 -3.49 117.51 116.41 2cqi h ILE 32 Ca 0.28 -2.26 0.04 0.00 1.00 0.00 0.00 64.86 63.91 2cqi h ILE 32 Cb 0.40 3.20 -0.05 0.00 -0.74 0.00 0.00 36.82 39.63 2cqi h ILE 32 CO -0.08 0.57 0.19 -0.83 0.00 0.00 0.00 178.15 178.00 2cqi s GLY 33 N -4.17 0.05 0.04 5.37 0.00 -0.76 -4.98 107.32 102.87 2cqi s GLY 33 Ca -0.18 -0.44 -0.31 0.00 0.00 0.00 0.00 44.72 43.80 2cqi s GLY 33 CO 0.65 -0.19 1.41 2.56 0.00 0.00 0.00 173.10 177.54 2cqi s PRO 34 N -3.73 4.29 -0.21 2.90 0.04 -1.26 -3.87 135.00 133.16 2cqi s PRO 34 Ca 0.13 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.09 2cqi s PRO 34 Cb -0.05 -3.47 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 2cqi s PRO 34 CO 0.08 -0.54 0.15 0.00 0.04 0.00 0.00 177.00 176.73 2cqi h LYS 36 N 6.84 -0.01 -1.74 0.00 3.64 -0.01 -3.48 116.57 121.81 2cqi h LYS 36 Ca -0.40 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.00 2cqi h LYS 36 Cb 1.15 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.75 2cqi h LYS 36 CO 0.74 0.61 0.37 0.45 -2.27 0.00 0.00 179.45 179.35 2cqi s SER 37 N -5.82 -0.52 -0.06 4.20 0.15 -1.15 -5.03 113.70 105.47 2cqi s SER 37 Ca -0.17 0.79 0.02 0.00 0.70 0.00 0.00 55.95 57.30 2cqi s SER 37 Cb 0.00 0.73 0.01 0.00 -1.71 0.00 0.00 66.02 65.06 2cqi s SER 37 CO 0.67 -0.32 -0.12 0.00 1.20 0.00 0.00 173.24 174.67 2cqi s LYS 39 N 0.61 2.00 -0.30 0.00 2.20 -0.73 -4.95 119.74 118.58 2cqi s LYS 39 Ca -0.13 -1.20 -0.21 0.00 -0.36 0.00 0.00 55.97 54.07 2cqi s LYS 39 Cb -0.15 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2cqi s LYS 39 CO 0.03 -0.57 0.65 1.41 -0.36 0.00 0.00 175.35 176.51 2cqi s MET 40 N 1.22 3.94 -0.22 4.03 -2.45 -1.26 -0.42 119.30 124.14 2cqi s MET 40 Ca -0.08 0.37 -0.06 0.00 -1.25 0.00 0.00 55.69 54.67 2cqi s MET 40 Cb -0.19 -3.72 -0.03 0.00 1.25 0.00 0.00 34.83 32.14 2cqi s MET 40 CO -0.06 -0.56 0.03 0.42 1.05 0.00 0.00 175.02 175.90 2cqi s ILE 41 N 2.64 4.13 -0.20 10.11 1.01 0.15 -4.95 121.20 134.08 2cqi s ILE 41 Ca 0.26 -0.25 0.17 0.00 0.00 0.00 0.00 60.65 60.83 2cqi s ILE 41 Cb -0.15 -2.89 0.46 0.00 0.01 0.00 0.00 42.46 39.89 2cqi s ILE 41 CO 0.11 0.40 1.17 0.35 0.00 0.00 0.00 174.94 176.97 2cqi n THR 42 N 4.46 1.53 -0.17 2.92 -2.24 -1.26 -1.68 114.28 117.84 2cqi n THR 42 Ca -0.17 -2.93 -0.09 0.00 -2.27 0.00 0.00 64.05 58.59 2cqi n THR 42 Cb 0.52 0.27 0.01 0.00 -2.10 0.00 0.00 70.33 69.02 2cqi n THR 42 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2cqi h GLU 43 N 1.84 0.76 -6.75 -0.78 4.11 -1.94 -3.43 114.58 108.39 2cqi h GLU 43 Ca 0.01 -0.17 -0.49 0.00 0.07 0.00 0.00 59.36 58.78 2cqi h GLU 43 Cb 1.43 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2cqi h GLU 43 CO 0.29 0.73 0.29 -1.01 0.07 0.00 0.00 179.01 179.38 2cqi s HIS 44 N -5.36 3.80 -0.14 2.06 3.76 -1.26 -4.99 115.29 113.16 2cqi s HIS 44 Ca -0.13 1.75 -0.10 0.00 -0.15 0.00 0.00 55.06 56.43 2cqi s HIS 44 Cb 0.11 -2.88 -0.06 0.00 1.11 0.00 0.00 32.58 30.87 2cqi s HIS 44 CO 0.78 0.34 -0.23 2.41 -0.85 0.00 0.00 174.74 177.20 2cqi n THR 45 N 0.99 1.17 -0.31 1.30 -1.04 -1.26 -4.63 114.28 110.49 2cqi n THR 45 Ca -0.01 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 61.91 2cqi n THR 45 Cb 0.49 -1.89 -0.03 0.00 -1.82 0.00 0.00 70.33 67.08 2cqi n THR 45 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2cqi n SER 46 N -3.94 -0.68 -4.88 8.00 2.88 -1.26 -4.23 113.62 109.51 2cqi n SER 46 Ca -0.24 1.35 -0.35 0.00 -1.33 0.00 0.00 58.87 58.30 2cqi n SER 46 Cb 0.57 -0.23 -0.05 0.00 -0.75 0.00 0.00 64.21 63.75 2cqi n SER 46 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2cqi s ASN 47 N -5.34 6.51 0.70 -3.46 0.01 -1.26 -5.06 114.94 107.05 2cqi s ASN 47 Ca -0.10 0.59 -0.17 0.00 -0.71 0.00 0.00 52.86 52.47 2cqi s ASN 47 Cb 0.11 -2.10 -0.11 0.00 0.41 0.00 0.00 41.25 39.56 2cqi s ASN 47 CO 0.50 0.28 -0.01 -0.90 -1.51 0.00 0.00 177.10 175.46 2cqi n ASP 48 N 1.31 -3.20 -4.24 -1.22 5.68 -1.26 -4.85 116.55 108.78 2cqi n ASP 48 Ca -0.13 0.53 -0.29 0.00 -0.50 0.00 0.00 54.79 54.40 2cqi n ASP 48 Cb 0.53 -0.98 0.21 0.00 -1.14 0.00 0.00 41.12 39.75 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 -1.93 -0.48 -0.02 0.11 0.04 -1.26 -4.68 135.00 126.78 2cqi s PRO 49 Ca 0.57 0.21 -0.20 0.00 0.04 0.00 0.00 61.00 61.61 2cqi s PRO 49 Cb -0.37 -1.66 0.04 0.00 0.04 0.00 0.00 34.50 32.55 2cqi s PRO 49 CO 0.67 -3.28 0.43 1.52 0.04 0.00 0.00 177.00 176.38 2cqi s TYR 50 N -2.98 -0.34 0.07 0.56 -0.85 -0.68 -3.27 117.35 109.87 2cqi s TYR 50 Ca 0.68 0.55 0.03 0.00 -0.52 0.00 0.00 57.07 57.81 2cqi s TYR 50 Cb -0.14 0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 2cqi s TYR 50 CO 0.57 -0.47 -0.08 0.00 -1.52 0.00 0.00 175.55 174.05 2cqi s PHE 52 N -2.18 3.33 -0.17 0.00 0.08 0.44 -0.08 117.98 119.40 2cqi s PHE 52 Ca -0.01 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.33 2cqi s PHE 52 Cb -0.05 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2cqi s PHE 52 CO -0.01 0.57 -0.08 0.08 -0.10 0.00 0.00 175.22 175.68 2cqi s VAL 53 N -1.04 1.37 -0.18 -0.44 1.01 0.24 -1.77 120.40 119.58 2cqi s VAL 53 Ca 0.17 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2cqi s VAL 53 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2cqi s VAL 53 CO 0.07 0.19 -0.01 -0.70 0.00 0.00 0.00 175.10 174.66 2cqi s GLU 54 N 1.53 3.68 0.49 2.72 2.12 -0.68 -0.46 118.70 128.10 2cqi s GLU 54 Ca 0.01 -0.50 0.08 0.00 0.36 0.00 0.00 54.97 54.92 2cqi s GLU 54 Cb -0.15 -3.03 0.03 0.00 0.26 0.00 0.00 34.13 31.24 2cqi s GLU 54 CO -0.08 0.13 0.57 -0.06 -0.54 0.00 0.00 175.26 175.28 2cqi s PHE 55 N 0.70 2.11 -0.03 5.30 0.40 0.78 0.67 117.98 127.91 2cqi s PHE 55 Ca -0.00 -0.61 -0.16 0.00 -0.60 0.00 0.00 56.93 55.56 2cqi s PHE 55 Cb -0.14 -2.20 -0.32 0.00 0.51 0.00 0.00 43.02 40.87 2cqi s PHE 55 CO 0.02 -0.61 0.82 1.88 0.70 0.00 0.00 175.22 178.03 2cqi h TYR 56 N 0.59 0.73 -2.27 0.36 0.05 -1.86 -3.42 116.97 111.15 2cqi h TYR 56 Ca -0.36 -0.54 -0.56 0.00 0.05 0.00 0.00 58.73 57.32 2cqi h TYR 56 Cb 1.28 -0.03 -0.14 0.00 1.01 0.00 0.00 36.73 38.86 2cqi h TYR 56 CO 0.54 1.54 -0.69 -1.21 -1.05 0.00 0.00 178.16 177.29 2cqi s GLU 57 N -2.53 1.68 0.25 4.88 2.02 -1.26 -5.03 118.70 118.71 2cqi s GLU 57 Ca -0.14 -1.85 0.09 0.00 0.02 0.00 0.00 54.97 53.09 2cqi s GLU 57 Cb 0.04 -1.47 0.27 0.00 0.10 0.00 0.00 34.13 33.07 2cqi s GLU 57 CO 0.87 0.12 1.56 1.25 0.02 0.00 0.00 175.26 179.08 2cqi h HIS 58 N 2.16 0.05 -0.91 1.61 -0.00 -1.88 -2.92 115.15 113.26 2cqi h HIS 58 Ca -0.41 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 2cqi h HIS 58 Cb 1.24 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 28.60 2cqi h HIS 58 CO 0.74 0.69 0.59 0.07 -0.00 0.00 0.00 177.93 180.01 2cqi h ARG 59 N 0.03 1.21 -0.05 5.26 0.11 -1.96 0.71 114.38 119.68 2cqi h ARG 59 Ca -0.01 -0.08 -0.07 0.00 0.10 0.00 0.00 59.98 59.92 2cqi h ARG 59 Cb 1.18 -0.27 0.00 0.00 1.11 0.00 0.00 29.97 31.99 2cqi h ARG 59 CO 0.09 0.81 -0.24 -0.44 0.10 0.00 0.00 179.97 180.29 2cqi h ASP 60 N 1.24 0.30 -0.85 0.08 3.32 -1.95 -1.87 116.42 116.69 2cqi h ASP 60 Ca 0.33 -0.65 0.01 0.00 0.02 0.00 0.00 57.03 56.75 2cqi h ASP 60 Cb -0.12 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 2cqi h ASP 60 CO -0.07 0.90 0.56 0.00 -1.72 0.00 0.00 179.24 178.91 2cqi h ALA 61 N 0.41 1.09 -0.34 3.45 0.00 -1.32 0.19 119.26 122.73 2cqi h ALA 61 Ca -0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2cqi h ALA 61 Cb 0.89 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2cqi h ALA 61 CO 0.05 0.46 -0.21 0.00 0.00 0.00 0.00 179.25 179.55 2cqi h ALA 62 N 1.32 0.49 -0.13 0.00 0.00 -0.91 0.19 119.26 120.22 2cqi h ALA 62 Ca 0.32 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2cqi h ALA 62 Cb -0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2cqi h ALA 62 CO -0.08 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2cqi h ALA 63 N 0.77 0.18 -0.15 0.00 0.00 -0.98 -2.38 119.26 116.70 2cqi h ALA 63 Ca 0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2cqi h ALA 63 Cb 0.76 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2cqi h ALA 63 CO 0.06 -0.13 -0.45 0.00 0.00 0.00 0.00 179.25 178.72 2cqi h ALA 64 N 0.76 0.94 0.11 0.00 0.00 -0.65 -1.79 119.26 118.63 2cqi h ALA 64 Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2cqi h ALA 64 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2cqi h ALA 64 CO 0.01 0.64 -0.05 1.25 0.00 0.00 0.00 179.25 181.09 2cqi h LEU 65 N 0.31 -0.13 -0.40 0.00 5.85 -0.53 0.50 115.31 120.90 2cqi h LEU 65 Ca 0.02 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2cqi h LEU 65 Cb 0.92 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2cqi h LEU 65 CO 0.08 -0.09 -0.16 0.00 -0.34 0.00 0.00 178.44 177.92 2cqi h ALA 66 N 0.73 0.56 -0.45 1.25 0.00 -1.42 1.26 119.26 121.19 2cqi h ALA 66 Ca -0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2cqi h ALA 66 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2cqi h ALA 66 CO 0.03 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 2cqi h ALA 67 N 0.82 1.11 0.00 0.00 0.00 -1.18 -2.78 119.26 117.22 2cqi h ALA 67 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2cqi h ALA 67 Cb 0.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2cqi h ALA 67 CO 0.05 0.56 -0.97 -1.33 0.00 0.00 0.00 179.25 177.57 2cqi n MET 68 N -4.21 0.36 -1.54 0.00 2.81 0.17 -4.62 117.12 110.10 2cqi n MET 68 Ca 0.02 0.03 -0.38 0.00 -1.81 0.00 0.00 57.70 55.56 2cqi n MET 68 Cb 0.31 -1.65 -0.05 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.13 2.12 -1.43 7.83 2.85 0.43 -1.10 115.26 123.83 2cqi n ASN 69 Ca 0.02 -0.31 -0.09 0.00 -0.11 0.00 0.00 54.58 54.08 2cqi n ASN 69 Cb 0.46 -1.48 0.02 0.00 1.24 0.00 0.00 39.78 40.02 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 6.08 0.21 3.87 8.20 0.00 0.48 -4.83 105.19 119.20 2cqi n GLY 70 Ca 0.41 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.07 3.69 -0.37 1.61 3.52 -0.26 -4.69 118.95 117.39 2cqi s ARG 71 Ca 0.14 0.62 -0.19 0.00 -0.13 0.00 0.00 55.73 56.16 2cqi s ARG 71 Cb -0.06 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 2cqi s ARG 71 CO 0.17 -0.33 0.59 0.15 -0.81 0.00 0.00 175.30 175.07 2cqi s LYS 72 N -4.61 3.58 -0.08 5.12 -0.14 -1.26 0.15 119.74 122.51 2cqi s LYS 72 Ca 0.53 -0.11 -0.01 0.00 -1.36 0.00 0.00 55.97 55.03 2cqi s LYS 72 Cb -0.10 -3.83 0.03 0.00 -1.68 0.00 0.00 37.83 32.24 2cqi s LYS 72 CO 0.43 -0.74 -0.03 0.42 -0.76 0.00 0.00 175.35 174.67 2cqi s ILE 73 N 2.59 0.58 -1.42 2.17 1.01 -0.37 -4.81 121.20 120.95 2cqi s ILE 73 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 2cqi s ILE 73 Cb -0.15 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2cqi s ILE 73 CO 0.15 0.29 1.03 0.18 0.00 0.00 0.00 174.94 176.58 2cqi n LEU 74 N 4.95 -3.17 0.00 2.97 4.77 -1.26 -0.94 117.00 124.32 2cqi n LEU 74 Ca -0.11 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2cqi n LEU 74 Cb 0.50 -3.00 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 2cqi n LEU 74 CO 0.14 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2cqi n GLY 75 N -1.87 0.92 3.23 -0.72 0.00 -1.26 -4.96 105.19 100.53 2cqi n GLY 75 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.29 3.18 -0.14 1.61 2.20 -0.12 -5.09 119.74 121.08 2cqi s LYS 76 Ca 0.00 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.56 2cqi s LYS 76 Cb 0.00 -2.65 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2cqi s LYS 76 CO 0.00 -0.06 1.35 -2.00 -0.36 0.00 0.00 175.35 174.28 2cqi s GLU 77 N 1.01 4.22 -0.03 4.03 2.12 -1.26 -1.24 118.70 127.55 2cqi s GLU 77 Ca -0.02 1.78 -0.14 0.00 0.36 0.00 0.00 54.97 56.96 2cqi s GLU 77 Cb -0.15 -3.82 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 2cqi s GLU 77 CO -0.03 -0.74 0.37 0.14 -0.54 0.00 0.00 175.26 174.45 2cqi s VAL 78 N 3.63 5.12 -0.19 3.70 -7.23 0.12 -4.75 120.40 120.80 2cqi s VAL 78 Ca 0.59 0.74 -0.09 0.00 -1.81 0.00 0.00 61.98 61.41 2cqi s VAL 78 Cb -0.24 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 32.98 2cqi s VAL 78 CO 0.18 0.57 0.11 -1.59 -0.31 0.00 0.00 175.10 174.06 2cqi s LYS 79 N -0.94 4.06 -0.10 4.82 -2.85 0.55 -0.39 119.74 124.89 2cqi s LYS 79 Ca 0.22 -0.25 0.03 0.00 -1.00 0.00 0.00 55.97 54.97 2cqi s LYS 79 Cb -0.16 -3.34 0.01 0.00 -2.06 0.00 0.00 37.83 32.28 2cqi s LYS 79 CO 0.11 0.34 -0.18 0.08 0.10 0.00 0.00 175.35 175.80 2cqi s VAL 80 N 0.23 1.66 0.11 1.79 1.01 -1.26 -0.32 120.40 123.63 2cqi s VAL 80 Ca 0.07 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2cqi s VAL 80 Cb -0.11 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2cqi s VAL 80 CO -0.01 0.47 0.08 0.21 0.00 0.00 0.00 175.10 175.86 2cqi s ASN 81 N 0.69 0.29 -0.04 3.32 2.47 -0.86 -4.58 114.94 116.24 2cqi s ASN 81 Ca -0.12 -1.05 -0.30 0.00 0.42 0.00 0.00 52.86 51.81 2cqi s ASN 81 Cb -0.16 0.30 -0.06 0.00 -1.45 0.00 0.00 41.25 39.88 2cqi s ASN 81 CO 0.03 -0.72 1.72 0.26 -3.72 0.00 0.00 177.10 174.67 2cqi s TRP 82 N -3.99 1.83 -1.08 0.43 0.52 -1.26 -0.36 118.94 115.02 2cqi s TRP 82 Ca 0.17 0.06 -0.22 0.00 0.02 0.00 0.00 56.10 56.14 2cqi s TRP 82 Cb 0.07 -3.99 0.05 0.00 -1.15 0.00 0.00 33.47 28.45 2cqi s TRP 82 CO -0.03 -4.20 1.53 0.00 0.02 0.00 0.00 176.95 174.27 2cqi s ALA 83 N 4.17 2.84 -0.20 0.98 0.00 -0.44 -4.78 121.76 124.33 2cqi s ALA 83 Ca 0.77 -2.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.15 2cqi s ALA 83 Cb -0.35 -4.56 -0.04 0.00 0.00 0.00 0.00 23.12 18.17 2cqi s ALA 83 CO 0.32 -3.57 0.45 0.99 0.00 0.00 0.00 175.76 173.95 2cqi s THR 84 N 4.89 5.16 0.37 0.00 2.01 -1.26 -4.79 115.64 122.03 2cqi s THR 84 Ca 0.48 0.81 -0.25 0.00 0.31 0.00 0.00 61.69 63.05 2cqi s THR 84 Cb 0.01 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 2cqi s THR 84 CO -0.06 0.23 1.02 0.42 -0.69 0.00 0.00 174.62 175.54 2cqi s THR 85 N 1.40 3.89 0.14 -0.82 -4.23 -1.26 -5.00 115.64 109.75 2cqi s THR 85 Ca 0.21 1.48 -0.31 0.00 -1.18 0.00 0.00 61.69 61.90 2cqi s THR 85 Cb -0.15 -3.78 -0.08 0.00 1.34 0.00 0.00 72.50 69.83 2cqi s THR 85 CO 0.09 0.04 1.34 -2.16 -0.54 0.00 0.00 174.62 173.39 2cqi s PRO 86 N -2.37 4.36 -0.10 3.99 0.04 -1.26 -5.03 135.00 134.63 2cqi s PRO 86 Ca 0.55 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.58 2cqi s PRO 86 Cb -0.21 -3.24 0.05 0.00 0.04 0.00 0.00 34.50 31.15 2cqi s PRO 86 CO 0.26 -0.34 0.23 -1.54 0.04 0.00 0.00 177.00 175.65 2cqi s SER 87 N 0.79 -0.11 0.82 6.66 1.04 -1.26 -5.15 113.70 116.49 2cqi s SER 87 Ca 0.61 0.50 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 2cqi s SER 87 Cb -0.36 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.23 2cqi s SER 87 CO 0.33 -0.18 0.87 -1.54 0.98 0.00 0.00 173.24 173.71 2cqi n SER 88 N 4.45 -0.17 -4.74 7.02 3.41 -1.26 -4.94 113.62 117.39 2cqi n SER 88 Ca -0.22 0.53 -0.33 0.00 -0.26 0.00 0.00 58.87 58.59 2cqi n SER 88 Cb 0.52 -1.37 0.09 0.00 -0.26 0.00 0.00 64.21 63.18 2cqi n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2cqi s GLN 89 N -3.69 2.22 -0.30 4.33 1.11 -1.26 -5.05 119.66 117.02 2cqi s GLN 89 Ca 0.68 1.57 -0.14 0.00 0.01 0.00 0.00 55.36 57.48 2cqi s GLN 89 Cb -0.29 -1.86 0.15 0.00 -1.01 0.00 0.00 33.01 30.00 2cqi s GLN 89 CO 0.56 -1.74 0.89 0.21 0.01 0.00 0.00 175.29 175.23 2cqi s LYS 90 N -4.15 0.40 0.26 2.91 2.20 -1.26 -5.17 119.74 114.93 2cqi s LYS 90 Ca 0.70 0.92 0.07 0.00 -0.36 0.00 0.00 55.97 57.30 2cqi s LYS 90 Cb -0.25 0.47 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2cqi s LYS 90 CO 0.47 -0.12 0.22 -1.12 -0.36 0.00 0.00 175.35 174.44 2cqi s SER 91 N 2.33 5.54 0.34 1.43 0.01 -1.26 -5.12 113.70 116.96 2cqi s SER 91 Ca -0.05 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 56.91 2cqi s SER 91 Cb -0.07 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 2cqi s SER 91 CO -0.18 -0.09 0.59 -0.83 0.41 0.00 0.00 173.24 173.14 2cqi s GLY 92 N -3.88 1.65 0.48 3.44 0.00 -1.26 -4.99 107.32 102.76 2cqi s GLY 92 Ca 0.34 -0.65 0.31 0.00 0.00 0.00 0.00 44.72 44.72 2cqi s GLY 92 CO 0.25 -0.55 1.92 -0.56 0.00 0.00 0.00 173.10 174.17 2cqi h PRO 93 N 1.19 0.00 -5.19 2.90 0.13 -2.07 -3.46 132.00 125.49 2cqi h PRO 93 Ca -0.48 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.13 2cqi h PRO 93 Cb 1.20 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.49 2cqi h PRO 93 CO 0.64 0.00 -1.08 0.45 -0.23 0.00 0.00 178.00 177.78 2cqi n SER 94 N -2.86 -3.44 -4.32 1.44 2.88 -1.26 -4.98 113.62 101.08 2cqi n SER 94 Ca 0.01 0.51 -0.22 0.00 -1.33 0.00 0.00 58.87 57.84 2cqi n SER 94 Cb 0.28 -0.73 -0.11 0.00 -0.75 0.00 0.00 64.21 62.90 2cqi n SER 94 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqi s SER 95 N -0.87 2.62 0.00 -3.46 0.15 -1.26 -5.24 113.70 105.64 2cqi s SER 95 Ca 0.47 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2cqi s SER 95 Cb -0.40 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 2cqi s SER 95 CO 0.59 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.62