#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 0.47 0.54 1.61 0.01 -1.26 -5.14 113.70 109.94 2cqi s SER -5 Ca 0.00 -0.83 -0.20 0.00 1.31 0.00 0.00 55.95 56.23 2cqi s SER -5 Cb 0.00 0.15 -0.07 0.00 0.21 0.00 0.00 66.02 66.31 2cqi s SER -5 CO 0.00 -0.48 0.95 -1.20 0.41 0.00 0.00 173.24 172.92 2cqi n SER -4 N 0.62 0.82 -0.00 2.44 7.64 -1.26 -4.97 113.62 118.90 2cqi n SER -4 Ca -0.17 0.88 -0.00 0.00 1.01 0.00 0.00 58.87 60.58 2cqi n SER -4 Cb 0.59 -1.36 -0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2cqi n SER -4 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2cqi h GLY -3 N 0.85 -0.00 0.05 0.23 0.00 -2.01 -3.44 103.07 98.75 2cqi h GLY -3 Ca -0.47 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.45 2cqi h GLY -3 CO 0.53 -0.00 -2.36 1.44 0.00 0.00 0.00 176.54 176.14 2cqi n SER -2 N -2.17 1.97 -3.68 0.19 7.64 -1.26 -5.01 113.62 111.30 2cqi n SER -2 Ca -0.00 0.16 -0.25 0.00 1.01 0.00 0.00 58.87 59.79 2cqi n SER -2 Cb 0.00 -0.69 0.06 0.00 -1.01 0.00 0.00 64.21 62.57 2cqi n SER -2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cqi n SER -1 N -3.85 -4.95 -2.72 6.43 2.88 -1.26 -4.91 113.62 105.24 2cqi n SER -1 Ca -0.48 -0.65 -0.08 0.00 -1.33 0.00 0.00 58.87 56.34 2cqi n SER -1 Cb 0.92 -4.62 0.09 0.00 -0.75 0.00 0.00 64.21 59.85 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 -1.78 0.36 3.75 0.46 0.00 -1.26 -5.15 105.19 101.58 2cqi n GLY 0 Ca -0.04 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2cqi n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cqi s MET 1 N 0.23 2.74 0.44 1.61 1.00 -1.26 -5.11 119.30 118.95 2cqi s MET 1 Ca 0.22 -0.92 -0.16 0.00 0.00 0.00 0.00 55.69 54.83 2cqi s MET 1 Cb 0.30 -2.57 -0.08 0.00 0.00 0.00 0.00 34.83 32.48 2cqi s MET 1 CO -0.07 0.49 0.89 -1.64 0.00 0.00 0.00 175.02 174.68 2cqi s MET 2 N -2.95 3.96 -0.21 2.03 1.00 -1.26 -5.06 119.30 116.82 2cqi s MET 2 Ca 0.29 0.82 -0.06 0.00 0.00 0.00 0.00 55.69 56.74 2cqi s MET 2 Cb -0.10 -2.25 -0.03 0.00 0.00 0.00 0.00 34.83 32.45 2cqi s MET 2 CO 0.22 -0.11 0.04 -2.00 0.00 0.00 0.00 175.02 173.17 2cqi s GLU 3 N -3.70 3.72 -0.24 2.03 2.12 -1.26 -5.07 118.70 116.31 2cqi s GLU 3 Ca 0.57 -0.46 -0.08 0.00 0.36 0.00 0.00 54.97 55.36 2cqi s GLU 3 Cb -0.10 -3.20 0.11 0.00 0.26 0.00 0.00 34.13 31.20 2cqi s GLU 3 CO 0.26 0.01 0.50 0.34 -0.54 0.00 0.00 175.26 175.82 2cqi s ASP 4 N 1.07 -0.56 -0.20 -1.70 -1.08 -1.26 -5.05 116.67 107.88 2cqi s ASP 4 Ca 0.03 1.16 -0.20 0.00 -0.52 0.00 0.00 52.55 53.02 2cqi s ASP 4 Cb -0.14 1.68 -0.18 0.00 -1.46 0.00 0.00 42.92 42.82 2cqi s ASP 4 CO 0.03 -0.23 0.19 -0.78 0.52 0.00 0.00 175.17 174.89 2cqi h ASP 5 N 8.11 0.00 -0.37 -0.34 1.82 -1.99 -3.48 116.42 120.18 2cqi h ASP 5 Ca -0.17 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 56.00 2cqi h ASP 5 Cb 1.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.12 2cqi h ASP 5 CO 0.12 1.40 0.00 0.61 -1.61 0.00 0.00 179.24 179.76 2cqi n GLY 6 N 1.46 0.54 3.56 -0.78 0.00 -1.26 -4.98 105.19 103.74 2cqi n GLY 6 Ca -0.29 -0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.19 1.16 -2.25 1.61 6.02 -1.26 -4.90 117.38 117.57 2cqi n GLN 7 Ca 0.00 0.41 -0.39 0.00 -0.01 0.00 0.00 57.00 57.01 2cqi n GLN 7 Cb 0.09 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 29.60 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 -1.47 4.21 -0.01 -1.09 0.04 -1.26 -4.88 135.00 130.54 2cqi s PRO 8 Ca 0.59 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.60 2cqi s PRO 8 Cb -0.73 -2.86 0.01 0.00 0.04 0.00 0.00 34.50 30.96 2cqi s PRO 8 CO 0.59 -0.22 0.77 0.54 0.04 0.00 0.00 177.00 178.72 2cqi n ARG 9 N 0.42 1.41 -5.24 4.56 1.74 -1.26 -4.45 116.66 113.85 2cqi n ARG 9 Ca 0.02 -1.06 -0.31 0.00 -0.77 0.00 0.00 57.85 55.73 2cqi n ARG 9 Cb 0.45 -0.77 -0.16 0.00 -1.02 0.00 0.00 32.46 30.96 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 -0.57 2.19 -0.03 0.55 2.01 -1.26 -0.35 115.64 118.19 2cqi s THR 10 Ca 0.01 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.01 2cqi s THR 10 Cb 0.01 -1.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 2cqi s THR 10 CO 0.00 0.58 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.60 2cqi s LEU 11 N -0.51 1.92 -0.19 4.42 1.43 -0.42 -1.80 118.68 123.54 2cqi s LEU 11 Ca 0.07 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 2cqi s LEU 11 Cb -0.11 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 2cqi s LEU 11 CO 0.00 0.15 0.57 -0.47 0.23 0.00 0.00 176.35 176.82 2cqi s TYR 12 N -0.06 3.39 -0.23 0.29 6.14 0.11 -1.84 117.35 125.16 2cqi s TYR 12 Ca -0.00 0.86 -0.05 0.00 0.64 0.00 0.00 57.07 58.52 2cqi s TYR 12 Cb -0.09 -2.72 -0.02 0.00 0.42 0.00 0.00 41.96 39.56 2cqi s TYR 12 CO 0.01 -0.10 -0.00 0.08 0.64 0.00 0.00 175.55 176.18 2cqi s VAL 13 N 1.63 3.76 0.40 3.14 1.01 -0.07 -1.62 120.40 128.64 2cqi s VAL 13 Ca 0.27 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2cqi s VAL 13 Cb -0.16 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2cqi s VAL 13 CO 0.10 0.40 0.06 -0.83 0.00 0.00 0.00 175.10 174.83 2cqi s GLY 14 N 1.43 2.46 -0.99 4.51 0.00 0.61 -1.13 107.32 114.21 2cqi s GLY 14 Ca 0.05 -1.56 -0.02 0.00 0.00 0.00 0.00 44.72 43.19 2cqi s GLY 14 CO -0.00 -1.93 0.84 -2.01 0.00 0.00 0.00 173.10 170.00 2cqi n ASN 15 N -1.01 -3.63 -4.60 1.64 5.15 -1.22 -0.86 115.26 110.74 2cqi n ASN 15 Ca -0.07 -0.57 -0.34 0.00 -0.60 0.00 0.00 54.58 53.00 2cqi n ASN 15 Cb 0.66 -4.57 -0.11 0.00 -0.53 0.00 0.00 39.78 35.24 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 -5.52 3.48 0.73 1.20 1.43 -1.23 -3.91 118.68 114.87 2cqi s LEU 16 Ca 0.16 0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.13 2cqi s LEU 16 Cb -0.02 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.41 2cqi s LEU 16 CO 0.64 0.25 1.19 -0.55 0.23 0.00 0.00 176.35 178.12 2cqi s SER 17 N -0.13 4.25 0.00 2.29 0.15 -1.26 -4.09 113.70 114.91 2cqi s SER 17 Ca 0.04 2.31 0.03 0.00 0.70 0.00 0.00 55.95 59.03 2cqi s SER 17 Cb -0.13 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.74 2cqi s SER 17 CO 0.02 -2.22 1.10 0.54 1.20 0.00 0.00 173.24 173.88 2cqi n ARG 18 N -2.75 0.00 -0.01 5.44 1.74 -1.26 -1.11 116.66 118.71 2cqi n ARG 18 Ca 0.13 0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 57.56 2cqi n ARG 18 Cb 0.50 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.31 2cqi n ARG 18 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2cqi h ASP 19 N 0.00 0.01 -2.86 0.55 3.32 -1.99 -3.47 116.42 111.99 2cqi h ASP 19 Ca 0.00 -0.03 -0.55 0.00 0.02 0.00 0.00 57.03 56.47 2cqi h ASP 19 Cb 0.06 -0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.68 2cqi h ASP 19 CO 0.00 1.02 0.81 0.52 -1.72 0.00 0.00 179.24 179.88 2cqi n VAL 20 N -3.09 0.69 -4.58 -1.35 0.31 -0.27 -5.00 118.33 105.04 2cqi n VAL 20 Ca -0.15 -0.17 -0.26 0.00 -0.01 0.00 0.00 64.34 63.74 2cqi n VAL 20 Cb 1.04 -1.77 -0.11 0.00 -0.91 0.00 0.00 33.84 32.10 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 0.30 1.78 0.23 2.52 -4.23 -1.26 -4.93 115.64 110.05 2cqi s THR 21 Ca 0.69 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.13 2cqi s THR 21 Cb -0.57 -2.94 0.20 0.00 1.34 0.00 0.00 72.50 70.53 2cqi s THR 21 CO 0.45 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 176.30 2cqi h GLU 22 N 1.85 1.23 -0.44 3.99 4.22 -1.96 -1.98 114.58 121.49 2cqi h GLU 22 Ca -0.43 -0.15 -0.07 0.00 0.08 0.00 0.00 59.36 58.79 2cqi h GLU 22 Cb 1.24 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2cqi h GLU 22 CO 0.78 0.90 0.00 -0.24 -2.18 0.00 0.00 179.01 178.28 2cqi h VAL 23 N 1.23 1.26 -0.01 0.32 3.04 -1.97 -2.12 116.25 118.00 2cqi h VAL 23 Ca 0.31 -1.03 0.01 0.00 -1.01 0.00 0.00 66.70 64.98 2cqi h VAL 23 Cb 0.03 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 2cqi h VAL 23 CO -0.05 0.35 -0.02 0.25 -1.01 0.00 0.00 177.57 177.09 2cqi h LEU 24 N 0.62 -0.06 -0.29 3.16 6.46 -1.89 -0.27 115.31 123.04 2cqi h LEU 24 Ca 0.13 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 2cqi h LEU 24 Cb 0.49 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 2cqi h LEU 24 CO 0.02 -0.03 0.12 0.40 -0.62 0.00 0.00 178.44 178.33 2cqi h ILE 25 N -0.03 0.95 -0.15 4.05 1.08 -1.33 -1.58 117.51 120.49 2cqi h ILE 25 Ca 0.01 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2cqi h ILE 25 Cb 0.05 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 2cqi h ILE 25 CO -0.03 0.05 0.03 -0.07 -0.69 0.00 0.00 178.15 177.43 2cqi h LEU 26 N 0.26 0.18 0.07 1.44 3.38 -1.17 -0.68 115.31 118.79 2cqi h LEU 26 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2cqi h LEU 26 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2cqi h LEU 26 CO -0.11 0.20 -0.03 1.56 0.09 0.00 0.00 178.44 180.15 2cqi h GLN 27 N 0.21 -0.09 -0.24 1.13 1.08 -0.11 0.53 115.11 117.62 2cqi h GLN 27 Ca 0.05 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2cqi h GLN 27 Cb 0.10 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2cqi h GLN 27 CO -0.00 0.22 0.06 -0.07 -0.95 0.00 0.00 178.83 178.09 2cqi h LEU 28 N -0.40 0.37 -0.96 1.46 3.38 -1.07 -2.31 115.31 115.77 2cqi h LEU 28 Ca -0.01 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2cqi h LEU 28 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2cqi h LEU 28 CO 0.02 0.50 -0.36 -0.26 0.09 0.00 0.00 178.44 178.43 2cqi h PHE 29 N 0.22 0.36 -0.56 1.13 -1.00 -1.16 -2.92 116.94 113.01 2cqi h PHE 29 Ca 0.08 -0.09 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 2cqi h PHE 29 Cb 0.28 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 2cqi h PHE 29 CO 0.01 0.63 0.15 1.03 -1.61 0.00 0.00 178.31 178.52 2cqi h SER 30 N 0.27 0.79 -0.59 2.17 0.87 0.28 -1.56 113.55 115.77 2cqi h SER 30 Ca 0.03 -0.14 0.13 0.00 -1.23 0.00 0.00 61.79 60.58 2cqi h SER 30 Cb 0.76 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 2cqi h SER 30 CO 0.06 0.77 0.41 1.56 -0.53 0.00 0.00 176.83 179.09 2cqi h GLN 31 N 0.82 0.24 0.00 2.24 4.20 -1.21 -2.87 115.11 118.53 2cqi h GLN 31 Ca 0.18 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2cqi h GLN 31 Cb 0.28 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2cqi h GLN 31 CO -0.00 0.16 -0.60 0.82 -0.67 0.00 0.00 178.83 178.54 2cqi h ILE 32 N 0.24 0.86 -3.66 2.54 2.04 -1.51 -3.50 117.51 114.52 2cqi h ILE 32 Ca 0.28 -1.84 -0.07 0.00 1.00 0.00 0.00 64.86 64.23 2cqi h ILE 32 Cb 0.78 1.82 -0.11 0.00 -0.74 0.00 0.00 36.82 38.57 2cqi h ILE 32 CO -0.06 0.29 -0.16 -0.83 0.00 0.00 0.00 178.15 177.39 2cqi s GLY 33 N -4.38 0.38 0.04 5.37 0.00 -0.64 -5.01 107.32 103.07 2cqi s GLY 33 Ca -0.19 -0.73 -0.31 0.00 0.00 0.00 0.00 44.72 43.49 2cqi s GLY 33 CO 0.47 -0.62 1.42 2.56 0.00 0.00 0.00 173.10 176.92 2cqi s PRO 34 N -3.97 4.29 -0.15 2.90 0.04 -1.26 -3.74 135.00 133.11 2cqi s PRO 34 Ca 0.18 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 2cqi s PRO 34 Cb 0.01 -3.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 2cqi s PRO 34 CO 0.03 -0.55 0.29 0.00 0.04 0.00 0.00 177.00 176.81 2cqi h LYS 36 N 6.54 0.17 -1.70 0.00 3.64 -0.64 -3.48 116.57 121.11 2cqi h LYS 36 Ca -0.42 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 58.80 2cqi h LYS 36 Cb 1.17 0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 32.81 2cqi h LYS 36 CO 0.75 0.94 0.39 -1.12 -2.27 0.00 0.00 179.45 178.14 2cqi s SER 37 N -6.35 -0.50 -0.07 4.20 0.01 -1.23 -5.03 113.70 104.72 2cqi s SER 37 Ca -0.16 0.85 0.02 0.00 1.31 0.00 0.00 55.95 57.97 2cqi s SER 37 Cb 0.01 0.81 0.01 0.00 0.21 0.00 0.00 66.02 67.06 2cqi s SER 37 CO 0.74 -0.26 -0.13 0.00 0.41 0.00 0.00 173.24 174.01 2cqi s LYS 39 N 0.77 2.51 -0.29 0.00 2.20 -0.74 -4.95 119.74 119.26 2cqi s LYS 39 Ca -0.12 -0.88 -0.14 0.00 -0.36 0.00 0.00 55.97 54.47 2cqi s LYS 39 Cb -0.16 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 2cqi s LYS 39 CO 0.02 -0.33 0.31 1.41 -0.36 0.00 0.00 175.35 176.40 2cqi s MET 40 N 1.32 3.90 -0.23 4.03 -2.45 -1.26 -0.09 119.30 124.52 2cqi s MET 40 Ca 0.01 -0.17 -0.05 0.00 -1.25 0.00 0.00 55.69 54.23 2cqi s MET 40 Cb -0.15 -3.69 -0.02 0.00 1.25 0.00 0.00 34.83 32.23 2cqi s MET 40 CO -0.10 -0.29 -0.00 0.42 1.05 0.00 0.00 175.02 176.10 2cqi s ILE 41 N 1.95 3.75 -0.35 10.11 1.01 0.81 -4.97 121.20 133.51 2cqi s ILE 41 Ca 0.12 -0.37 0.14 0.00 0.00 0.00 0.00 60.65 60.54 2cqi s ILE 41 Cb -0.16 -2.72 0.45 0.00 0.01 0.00 0.00 42.46 40.04 2cqi s ILE 41 CO 0.11 0.40 1.00 0.35 0.00 0.00 0.00 174.94 176.80 2cqi n THR 42 N 4.74 1.40 -2.20 2.92 -2.24 -1.26 -1.87 114.28 115.76 2cqi n THR 42 Ca -0.17 -3.59 0.02 0.00 -2.27 0.00 0.00 64.05 58.04 2cqi n THR 42 Cb 0.51 0.13 0.09 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.20 1.01 -2.22 -0.78 0.28 -1.26 -5.03 120.64 112.44 2cqi n GLU 43 Ca 0.18 -2.77 -0.15 0.00 -0.16 0.00 0.00 57.16 54.26 2cqi n GLU 43 Cb 0.78 -0.90 0.06 0.00 1.43 0.00 0.00 31.44 32.81 2cqi n GLU 43 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2cqi n HIS 44 N -0.26 -2.74 -0.36 -1.84 8.25 -1.26 -5.09 115.22 111.92 2cqi n HIS 44 Ca 0.13 -1.38 -0.22 0.00 -0.26 0.00 0.00 57.72 55.99 2cqi n HIS 44 Cb 0.94 -0.44 0.21 0.00 1.12 0.00 0.00 29.99 31.82 2cqi n HIS 44 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2cqi n THR 45 N -2.11 0.00 -1.75 1.59 -2.24 -1.26 -4.65 114.28 103.85 2cqi n THR 45 Ca 0.12 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 2cqi n THR 45 Cb 0.42 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 2cqi n THR 45 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2cqi s SER 46 N -2.50 4.09 0.30 3.42 0.01 -1.26 -4.77 113.70 112.99 2cqi s SER 46 Ca 0.48 -0.79 -0.19 0.00 1.31 0.00 0.00 55.95 56.76 2cqi s SER 46 Cb -0.08 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.63 2cqi s SER 46 CO 0.40 -3.94 0.88 0.20 0.41 0.00 0.00 173.24 171.19 2cqi s ASN 47 N 8.71 -0.02 0.43 2.44 -0.87 -1.26 -5.15 114.94 119.21 2cqi s ASN 47 Ca 0.80 -0.93 -0.24 0.00 -1.57 0.00 0.00 52.86 50.92 2cqi s ASN 47 Cb -0.07 0.71 -0.08 0.00 -0.02 0.00 0.00 41.25 41.80 2cqi s ASN 47 CO 0.12 -1.40 1.20 1.51 -2.57 0.00 0.00 177.10 175.96 2cqi s ASP 48 N -3.17 6.30 1.12 -1.22 -4.77 -1.26 -4.96 116.67 108.70 2cqi s ASP 48 Ca 0.17 2.42 -0.16 0.00 -3.30 0.00 0.00 52.55 51.68 2cqi s ASP 48 Cb -0.04 -2.62 0.25 0.00 -1.09 0.00 0.00 42.92 39.42 2cqi s ASP 48 CO 0.09 -0.84 1.10 -2.16 0.70 0.00 0.00 175.17 174.06 2cqi s PRO 49 N -2.44 -0.54 -0.09 2.11 0.04 -1.26 -4.72 135.00 128.10 2cqi s PRO 49 Ca 0.60 0.18 -0.21 0.00 0.04 0.00 0.00 61.00 61.61 2cqi s PRO 49 Cb -0.32 -1.65 0.05 0.00 0.04 0.00 0.00 34.50 32.61 2cqi s PRO 49 CO 0.40 -3.31 0.49 1.52 0.04 0.00 0.00 177.00 176.15 2cqi s TYR 50 N -2.99 -0.46 0.14 0.56 -0.85 -0.78 -3.40 117.35 109.56 2cqi s TYR 50 Ca 0.69 0.93 0.05 0.00 -0.52 0.00 0.00 57.07 58.22 2cqi s TYR 50 Cb -0.14 0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 2cqi s TYR 50 CO 0.57 -0.41 -0.11 0.00 -1.52 0.00 0.00 175.55 174.07 2cqi s PHE 52 N -2.91 2.99 -0.20 0.00 0.08 0.87 -0.89 117.98 117.92 2cqi s PHE 52 Ca 0.14 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.11 2cqi s PHE 52 Cb -0.00 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2cqi s PHE 52 CO 0.02 0.20 -0.14 0.08 -0.10 0.00 0.00 175.22 175.28 2cqi s VAL 53 N -0.38 1.87 -0.12 -0.44 1.01 -0.77 -1.78 120.40 119.80 2cqi s VAL 53 Ca 0.06 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2cqi s VAL 53 Cb -0.12 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2cqi s VAL 53 CO 0.02 0.27 0.02 -0.70 0.00 0.00 0.00 175.10 174.71 2cqi s GLU 54 N 1.31 3.30 0.33 2.72 2.12 -0.85 -1.31 118.70 126.32 2cqi s GLU 54 Ca -0.00 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.03 2cqi s GLU 54 Cb -0.16 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 2cqi s GLU 54 CO -0.09 0.58 0.13 -0.06 -0.54 0.00 0.00 175.26 175.28 2cqi s PHE 55 N -0.52 2.71 0.14 5.30 0.08 0.53 0.07 117.98 126.29 2cqi s PHE 55 Ca 0.09 -0.37 -0.10 0.00 0.12 0.00 0.00 56.93 56.68 2cqi s PHE 55 Cb -0.12 -1.61 -0.06 0.00 -0.57 0.00 0.00 43.02 40.67 2cqi s PHE 55 CO 0.02 0.36 1.42 1.88 -0.10 0.00 0.00 175.22 178.80 2cqi h TYR 56 N 1.57 1.04 -2.78 0.36 -1.99 -1.87 -3.43 116.97 109.86 2cqi h TYR 56 Ca -0.44 -0.38 -0.47 0.00 2.00 0.00 0.00 58.73 59.44 2cqi h TYR 56 Cb 1.25 -0.19 -0.14 0.00 2.00 0.00 0.00 36.73 39.65 2cqi h TYR 56 CO 0.63 1.19 -0.65 -1.21 -0.00 0.00 0.00 178.16 178.12 2cqi s GLU 57 N -4.08 1.56 0.21 4.88 2.02 -1.26 -5.05 118.70 116.98 2cqi s GLU 57 Ca -0.10 -1.82 0.04 0.00 0.02 0.00 0.00 54.97 53.11 2cqi s GLU 57 Cb 0.10 -0.99 0.16 0.00 0.10 0.00 0.00 34.13 33.49 2cqi s GLU 57 CO 0.88 -0.06 1.49 1.25 0.02 0.00 0.00 175.26 178.85 2cqi h HIS 58 N 2.24 0.30 -0.84 1.61 -0.00 -1.89 -2.94 115.15 113.63 2cqi h HIS 58 Ca -0.40 -0.13 0.03 0.00 -0.00 0.00 0.00 60.37 59.86 2cqi h HIS 58 Cb 1.23 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 28.55 2cqi h HIS 58 CO 0.63 0.85 0.55 0.07 -0.00 0.00 0.00 177.93 180.04 2cqi h ARG 59 N 0.15 1.04 -0.06 5.26 0.11 -1.97 -0.03 114.38 118.89 2cqi h ARG 59 Ca -0.02 -0.06 -0.08 0.00 0.10 0.00 0.00 59.98 59.92 2cqi h ARG 59 Cb 1.25 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 32.10 2cqi h ARG 59 CO 0.11 0.69 -0.26 -0.44 0.10 0.00 0.00 179.97 180.17 2cqi h ASP 60 N 1.07 0.33 -0.88 0.08 3.32 -1.97 -2.12 116.42 116.26 2cqi h ASP 60 Ca 0.32 -0.64 0.03 0.00 0.02 0.00 0.00 57.03 56.77 2cqi h ASP 60 Cb -0.02 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 2cqi h ASP 60 CO -0.09 0.92 0.57 0.00 -1.72 0.00 0.00 179.24 178.92 2cqi h ALA 61 N 0.42 1.16 -0.36 3.45 0.00 -1.31 0.14 119.26 122.77 2cqi h ALA 61 Ca -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2cqi h ALA 61 Cb 0.90 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2cqi h ALA 61 CO 0.05 0.42 -0.18 0.00 0.00 0.00 0.00 179.25 179.55 2cqi h ALA 62 N 1.36 0.51 -0.18 0.00 0.00 -1.05 0.12 119.26 120.02 2cqi h ALA 62 Ca 0.35 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2cqi h ALA 62 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2cqi h ALA 62 CO -0.12 0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.60 2cqi h ALA 63 N 0.79 0.24 -0.16 0.00 0.00 -0.93 -2.40 119.26 116.79 2cqi h ALA 63 Ca 0.08 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2cqi h ALA 63 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2cqi h ALA 63 CO 0.05 -0.09 -0.41 0.00 0.00 0.00 0.00 179.25 178.80 2cqi h ALA 64 N 0.82 0.99 0.11 0.00 0.00 -0.74 -1.70 119.26 118.72 2cqi h ALA 64 Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2cqi h ALA 64 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2cqi h ALA 64 CO 0.00 0.62 -0.05 1.25 0.00 0.00 0.00 179.25 181.07 2cqi h LEU 65 N 0.32 -0.12 -0.39 0.00 5.85 -0.64 0.63 115.31 120.96 2cqi h LEU 65 Ca 0.03 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2cqi h LEU 65 Cb 0.86 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2cqi h LEU 65 CO 0.07 -0.08 -0.17 0.00 -0.34 0.00 0.00 178.44 177.92 2cqi h ALA 66 N 0.74 0.55 -0.21 1.25 0.00 -1.42 1.70 119.26 121.86 2cqi h ALA 66 Ca -0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2cqi h ALA 66 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2cqi h ALA 66 CO 0.02 0.48 -0.24 0.00 0.00 0.00 0.00 179.25 179.51 2cqi h ALA 67 N 0.82 1.20 0.00 0.00 0.00 -1.17 -2.87 119.26 117.23 2cqi h ALA 67 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2cqi h ALA 67 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2cqi h ALA 67 CO 0.05 0.52 -1.20 -1.33 0.00 0.00 0.00 179.25 177.29 2cqi n MET 68 N -4.14 0.32 -1.53 0.00 2.81 0.22 -4.66 117.12 110.13 2cqi n MET 68 Ca -0.00 -0.03 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 2cqi n MET 68 Cb 0.38 -1.57 -0.05 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 -1.96 2.44 -2.17 7.83 2.85 0.58 -1.02 115.26 123.80 2cqi n ASN 69 Ca 0.01 0.04 -0.16 0.00 -0.11 0.00 0.00 54.58 54.36 2cqi n ASN 69 Cb 0.45 -1.44 0.02 0.00 1.24 0.00 0.00 39.78 40.05 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 6.12 -0.19 3.87 8.20 0.00 0.36 -4.84 105.19 118.72 2cqi n GLY 70 Ca 0.38 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.30 3.51 -0.29 1.61 3.52 -0.19 -4.66 118.95 117.16 2cqi s ARG 71 Ca 0.19 0.68 -0.17 0.00 -0.13 0.00 0.00 55.73 56.30 2cqi s ARG 71 Cb -0.09 -2.09 -0.02 0.00 -1.56 0.00 0.00 34.95 31.19 2cqi s ARG 71 CO 0.24 -0.60 0.48 0.15 -0.81 0.00 0.00 175.30 174.76 2cqi s LYS 72 N -5.17 3.94 -0.10 5.12 -0.14 -1.26 0.14 119.74 122.27 2cqi s LYS 72 Ca 0.55 0.13 -0.02 0.00 -1.36 0.00 0.00 55.97 55.28 2cqi s LYS 72 Cb -0.11 -3.69 0.03 0.00 -1.68 0.00 0.00 37.83 32.38 2cqi s LYS 72 CO 0.53 -0.41 0.00 0.42 -0.76 0.00 0.00 175.35 175.13 2cqi s ILE 73 N 2.28 0.44 -1.39 2.17 1.01 -0.08 -4.82 121.20 120.81 2cqi s ILE 73 Ca 0.19 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.72 2cqi s ILE 73 Cb -0.16 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.69 2cqi s ILE 73 CO 0.10 0.18 1.14 0.18 0.00 0.00 0.00 174.94 176.55 2cqi n LEU 74 N 5.12 -3.27 0.00 2.97 4.77 -1.26 -0.85 117.00 124.48 2cqi n LEU 74 Ca -0.08 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2cqi n LEU 74 Cb 0.50 -2.95 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 2cqi n LEU 74 CO 0.11 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2cqi n GLY 75 N -1.92 1.00 3.23 -0.72 0.00 -1.26 -4.96 105.19 100.56 2cqi n GLY 75 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.26 3.19 -0.08 1.61 2.20 -0.03 -5.09 119.74 121.28 2cqi s LYS 76 Ca 0.00 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 2cqi s LYS 76 Cb 0.00 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 2cqi s LYS 76 CO 0.00 -0.10 1.27 -2.00 -0.36 0.00 0.00 175.35 174.16 2cqi s GLU 77 N 1.11 4.30 -0.14 4.03 2.12 -1.26 -0.90 118.70 127.96 2cqi s GLU 77 Ca 0.00 1.73 -0.09 0.00 0.36 0.00 0.00 54.97 56.97 2cqi s GLU 77 Cb -0.14 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 2cqi s GLU 77 CO -0.05 -0.56 0.18 0.14 -0.54 0.00 0.00 175.26 174.44 2cqi s VAL 78 N 2.67 5.41 -0.19 3.70 -7.23 0.12 -4.76 120.40 120.12 2cqi s VAL 78 Ca 0.57 0.31 -0.12 0.00 -1.81 0.00 0.00 61.98 60.93 2cqi s VAL 78 Cb -0.25 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.16 2cqi s VAL 78 CO 0.21 0.54 0.22 -1.59 -0.31 0.00 0.00 175.10 174.17 2cqi s LYS 79 N -0.45 4.19 -0.08 4.82 -2.85 -0.04 -0.48 119.74 124.85 2cqi s LYS 79 Ca 0.14 -0.07 0.04 0.00 -1.00 0.00 0.00 55.97 55.09 2cqi s LYS 79 Cb -0.12 -3.46 -0.00 0.00 -2.06 0.00 0.00 37.83 32.19 2cqi s LYS 79 CO 0.03 0.20 -0.21 0.08 0.10 0.00 0.00 175.35 175.55 2cqi s VAL 80 N 0.63 1.79 0.12 1.79 1.01 -1.26 -0.28 120.40 124.20 2cqi s VAL 80 Ca 0.12 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 2cqi s VAL 80 Cb -0.13 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2cqi s VAL 80 CO 0.02 0.50 0.15 0.20 0.00 0.00 0.00 175.10 175.98 2cqi s ASN 81 N 0.25 0.20 -0.01 3.32 -0.87 -0.64 -4.62 114.94 112.57 2cqi s ASN 81 Ca -0.13 -0.93 -0.30 0.00 -1.57 0.00 0.00 52.86 49.93 2cqi s ASN 81 Cb -0.16 0.34 -0.07 0.00 -0.02 0.00 0.00 41.25 41.35 2cqi s ASN 81 CO 0.06 -0.77 1.68 0.26 -2.57 0.00 0.00 177.10 175.76 2cqi s TRP 82 N -3.96 2.03 -0.41 2.20 0.52 -1.26 0.09 118.94 118.15 2cqi s TRP 82 Ca 0.15 0.17 -0.29 0.00 0.02 0.00 0.00 56.10 56.14 2cqi s TRP 82 Cb 0.05 -3.96 0.02 0.00 -1.15 0.00 0.00 33.47 28.44 2cqi s TRP 82 CO -0.04 -4.01 1.24 0.00 0.02 0.00 0.00 176.95 174.16 2cqi s ALA 83 N 3.70 3.20 -0.23 0.98 0.00 -0.74 -4.74 121.76 123.94 2cqi s ALA 83 Ca 0.75 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.40 2cqi s ALA 83 Cb -0.36 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 18.87 2cqi s ALA 83 CO 0.31 -2.11 0.07 0.95 0.00 0.00 0.00 175.76 174.98 2cqi s THR 84 N 4.61 4.52 0.31 0.00 -4.23 -1.26 -4.79 115.64 114.80 2cqi s THR 84 Ca 0.53 -0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 2cqi s THR 84 Cb -0.11 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.57 2cqi s THR 84 CO 0.28 0.38 0.65 0.42 -0.54 0.00 0.00 174.62 175.81 2cqi s THR 85 N 1.17 4.86 0.14 3.99 -4.23 -1.26 -4.98 115.64 115.34 2cqi s THR 85 Ca 0.05 0.51 0.33 0.00 -1.18 0.00 0.00 61.69 61.40 2cqi s THR 85 Cb -0.14 -3.67 0.38 0.00 1.34 0.00 0.00 72.50 70.40 2cqi s THR 85 CO 0.03 -0.27 1.99 1.55 -0.54 0.00 0.00 174.62 177.39 2cqi h PRO 86 N 1.95 0.00 -6.73 3.99 0.13 -2.06 -3.44 132.00 125.84 2cqi h PRO 86 Ca -0.47 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 2cqi h PRO 86 Cb 1.18 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.35 2cqi h PRO 86 CO 0.66 0.03 -0.09 -1.54 -0.23 0.00 0.00 178.00 176.83 2cqi s SER 87 N -5.73 5.15 -0.09 1.44 1.04 -1.26 -5.11 113.70 109.14 2cqi s SER 87 Ca 0.01 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2cqi s SER 87 Cb 0.09 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 2cqi s SER 87 CO 0.55 -1.23 -0.18 -0.94 0.98 0.00 0.00 173.24 172.41 2cqi s SER 88 N -4.53 3.64 -0.40 7.02 1.04 -1.26 -5.01 113.70 114.20 2cqi s SER 88 Ca 0.60 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 2cqi s SER 88 Cb -0.08 -1.24 0.27 0.00 0.10 0.00 0.00 66.02 65.07 2cqi s SER 88 CO 0.38 0.22 2.01 0.00 0.98 0.00 0.00 173.24 176.84 2cqi n GLN 89 N 3.14 2.00 -2.16 4.02 3.00 -1.26 -4.97 117.38 121.15 2cqi n GLN 89 Ca -0.18 -1.96 -0.37 0.00 -0.01 0.00 0.00 57.00 54.48 2cqi n GLN 89 Cb 0.52 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 29.00 2cqi n GLN 89 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2cqi s LYS 90 N -2.28 3.65 0.01 -1.09 -0.14 -1.26 -4.96 119.74 113.67 2cqi s LYS 90 Ca 0.39 1.87 -0.25 0.00 -1.36 0.00 0.00 55.97 56.62 2cqi s LYS 90 Cb 0.30 -2.39 -0.18 0.00 -1.68 0.00 0.00 37.83 33.88 2cqi s LYS 90 CO -0.00 -0.67 1.32 0.66 -0.76 0.00 0.00 175.35 175.89 2cqi h SER 91 N 1.96 -0.16 0.00 2.83 4.64 -1.93 -3.47 113.55 117.43 2cqi h SER 91 Ca -0.50 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 2cqi h SER 91 Cb 1.26 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2cqi h SER 91 CO 0.60 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 2cqi n GLY 92 N -0.20 -1.04 3.64 -0.77 0.00 -1.26 -5.12 105.19 100.44 2cqi n GLY 92 Ca -0.09 0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2cqi n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqi s PRO 93 N 0.00 3.92 -0.30 1.61 0.04 -1.26 -4.96 135.00 134.05 2cqi s PRO 93 Ca 0.00 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 2cqi s PRO 93 Cb 0.00 -4.00 0.17 0.00 0.04 0.00 0.00 34.50 30.71 2cqi s PRO 93 CO 0.00 -1.14 0.93 0.45 0.04 0.00 0.00 177.00 177.28 2cqi s SER 94 N 3.82 -0.69 -0.09 6.66 0.15 -1.26 -5.16 113.70 117.13 2cqi s SER 94 Ca 0.70 0.78 -0.04 0.00 0.70 0.00 0.00 55.95 58.10 2cqi s SER 94 Cb -0.26 1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 65.73 2cqi s SER 94 CO 0.28 -0.13 0.06 -0.94 1.20 0.00 0.00 173.24 173.70 2cqi s SER 95 N 2.62 5.68 0.00 5.45 1.04 -1.26 -5.21 113.70 122.02 2cqi s SER 95 Ca -0.00 0.26 0.12 0.00 0.48 0.00 0.00 55.95 56.81 2cqi s SER 95 Cb -0.08 -1.70 0.10 0.00 0.10 0.00 0.00 66.02 64.44 2cqi s SER 95 CO -0.17 0.38 0.88 0.61 0.98 0.00 0.00 173.24 175.92