#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 6.39 -0.51 1.61 1.04 -1.26 -4.99 113.70 115.99 2cqi s SER -5 Ca 0.00 0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.48 2cqi s SER -5 Cb 0.00 -2.32 0.17 0.00 0.10 0.00 0.00 66.02 63.96 2cqi s SER -5 CO 0.00 -0.64 0.38 -0.44 0.98 0.00 0.00 173.24 173.52 2cqi s SER -4 N 1.85 2.79 0.36 7.02 0.01 -1.26 -5.05 113.70 119.42 2cqi s SER -4 Ca 0.24 -3.27 0.00 0.00 1.31 0.00 0.00 55.95 54.23 2cqi s SER -4 Cb -0.14 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.20 2cqi s SER -4 CO 0.16 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2cqi n GLY -3 N 2.64 1.30 3.72 3.44 0.00 -1.26 -4.90 105.19 110.13 2cqi n GLY -3 Ca 0.24 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2cqi n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqi s SER -2 N -4.00 7.32 0.03 1.61 1.04 -1.26 -5.05 113.70 113.40 2cqi s SER -2 Ca 0.00 1.85 0.09 0.00 0.48 0.00 0.00 55.95 58.37 2cqi s SER -2 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 2cqi s SER -2 CO 0.00 -0.25 -0.26 -0.44 0.98 0.00 0.00 173.24 173.27 2cqi s SER -1 N 0.56 3.07 -0.91 7.02 0.01 -1.26 -4.82 113.70 117.37 2cqi s SER -1 Ca 0.52 -0.56 -0.06 0.00 1.31 0.00 0.00 55.95 57.16 2cqi s SER -1 Cb -0.25 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 2cqi s SER -1 CO 0.30 0.26 0.76 0.61 0.41 0.00 0.00 173.24 175.58 2cqi n GLY 0 N 1.91 -1.18 3.26 3.44 0.00 -1.26 -5.03 105.19 106.33 2cqi n GLY 0 Ca -0.17 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.17 0.46 -0.61 1.61 1.00 -1.26 -5.11 119.30 111.22 2cqi s MET 1 Ca 0.21 0.46 0.04 0.00 0.00 0.00 0.00 55.69 56.40 2cqi s MET 1 Cb -0.05 0.22 0.16 0.00 0.00 0.00 0.00 34.83 35.17 2cqi s MET 1 CO 0.79 -0.06 0.43 -1.64 0.00 0.00 0.00 175.02 174.53 2cqi s MET 2 N 0.06 2.00 -0.24 2.03 1.00 -1.26 -5.08 119.30 117.81 2cqi s MET 2 Ca -0.01 -2.94 -0.13 0.00 0.00 0.00 0.00 55.69 52.62 2cqi s MET 2 Cb -0.03 -2.88 -0.04 0.00 0.00 0.00 0.00 34.83 31.88 2cqi s MET 2 CO 0.01 -1.29 0.26 -1.21 0.00 0.00 0.00 175.02 172.79 2cqi s GLU 3 N -0.93 4.07 -0.55 2.03 0.41 -1.26 -5.00 118.70 117.47 2cqi s GLU 3 Ca 0.26 -0.11 -0.33 0.00 -0.41 0.00 0.00 54.97 54.38 2cqi s GLU 3 Cb -0.05 -3.58 -0.14 0.00 -1.78 0.00 0.00 34.13 28.58 2cqi s GLU 3 CO -0.15 -0.07 2.36 -0.25 -0.49 0.00 0.00 175.26 176.66 2cqi n ASP 4 N 4.65 1.61 -4.04 -0.19 8.00 -1.26 -4.86 116.55 120.46 2cqi n ASP 4 Ca -0.12 0.18 -0.33 0.00 0.71 0.00 0.00 54.79 55.22 2cqi n ASP 4 Cb 0.52 -1.22 -0.09 0.00 -0.02 0.00 0.00 41.12 40.31 2cqi n ASP 4 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2cqi s ASP 5 N 8.68 5.52 -0.76 -2.24 2.15 -1.26 -4.85 116.67 123.91 2cqi s ASP 5 Ca 1.14 -3.68 -0.01 0.00 0.43 0.00 0.00 52.55 50.43 2cqi s ASP 5 Cb -0.86 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2cqi s ASP 5 CO 0.45 -0.17 0.66 0.61 -0.17 0.00 0.00 175.17 176.56 2cqi n GLY 6 N 2.33 -1.25 3.37 2.66 0.00 -1.26 -4.84 105.19 106.19 2cqi n GLY 6 Ca 0.19 0.55 -0.41 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.02 0.25 -2.25 1.61 1.13 -1.26 -4.87 117.38 109.97 2cqi n GLN 7 Ca -0.12 0.09 -0.41 0.00 -1.94 0.00 0.00 57.00 54.63 2cqi n GLN 7 Cb 0.57 -1.24 -0.03 0.00 0.11 0.00 0.00 30.24 29.65 2cqi n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2cqi s PRO 8 N -1.30 4.46 -0.03 -1.09 0.04 -1.26 -4.92 135.00 130.89 2cqi s PRO 8 Ca 0.61 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.76 2cqi s PRO 8 Cb -0.60 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 30.88 2cqi s PRO 8 CO 0.60 -0.05 0.98 0.54 0.04 0.00 0.00 177.00 179.11 2cqi n ARG 9 N 1.09 0.41 -4.92 4.56 1.74 -1.26 -4.55 116.66 113.73 2cqi n ARG 9 Ca 0.00 -1.32 -0.27 0.00 -0.77 0.00 0.00 57.85 55.49 2cqi n ARG 9 Cb 0.43 -0.75 -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 -0.69 1.56 0.01 0.55 2.01 -1.26 -0.40 115.64 117.41 2cqi s THR 10 Ca 0.07 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.34 2cqi s THR 10 Cb 0.06 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 2cqi s THR 10 CO 0.01 0.45 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.46 2cqi s LEU 11 N 0.05 2.08 -0.26 4.42 1.43 0.19 -1.70 118.68 124.89 2cqi s LEU 11 Ca -0.05 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2cqi s LEU 11 Cb -0.12 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 2cqi s LEU 11 CO 0.03 0.16 0.20 -0.47 0.23 0.00 0.00 176.35 176.49 2cqi s TYR 12 N -0.53 3.27 -0.26 0.29 6.14 0.69 -1.13 117.35 125.82 2cqi s TYR 12 Ca 0.05 0.21 -0.08 0.00 0.64 0.00 0.00 57.07 57.89 2cqi s TYR 12 Cb -0.07 -2.35 -0.03 0.00 0.42 0.00 0.00 41.96 39.94 2cqi s TYR 12 CO 0.00 -0.06 0.10 0.08 0.64 0.00 0.00 175.55 176.31 2cqi s VAL 13 N 1.44 4.48 0.36 3.14 1.01 0.64 -1.96 120.40 129.52 2cqi s VAL 13 Ca 0.08 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.97 2cqi s VAL 13 Cb -0.15 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 2cqi s VAL 13 CO 0.08 0.30 0.02 -0.83 0.00 0.00 0.00 175.10 174.66 2cqi s GLY 14 N 1.64 2.24 -0.77 4.51 0.00 0.56 -0.76 107.32 114.74 2cqi s GLY 14 Ca 0.06 -2.15 -0.01 0.00 0.00 0.00 0.00 44.72 42.62 2cqi s GLY 14 CO 0.05 -1.95 0.65 -2.01 0.00 0.00 0.00 173.10 169.84 2cqi n ASN 15 N -0.80 -2.97 -4.66 1.64 5.15 -1.20 -0.83 115.26 111.59 2cqi n ASN 15 Ca -0.04 -0.43 -0.35 0.00 -0.60 0.00 0.00 54.58 53.16 2cqi n ASN 15 Cb 0.66 -3.60 -0.10 0.00 -0.53 0.00 0.00 39.78 36.22 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 -4.80 3.61 0.84 1.20 1.43 -1.21 -4.01 118.68 115.74 2cqi s LEU 16 Ca 0.09 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 2cqi s LEU 16 Cb -0.01 -1.85 0.10 0.00 0.03 0.00 0.00 46.19 44.46 2cqi s LEU 16 CO 0.49 0.32 1.14 -0.55 0.23 0.00 0.00 176.35 177.98 2cqi s SER 17 N -0.53 3.61 0.00 2.29 0.15 -1.26 -4.00 113.70 113.95 2cqi s SER 17 Ca 0.09 2.12 0.14 0.00 0.70 0.00 0.00 55.95 59.00 2cqi s SER 17 Cb -0.12 -2.56 0.64 0.00 -1.71 0.00 0.00 66.02 62.27 2cqi s SER 17 CO 0.02 -2.64 1.42 0.54 1.20 0.00 0.00 173.24 173.78 2cqi n ARG 18 N -3.75 0.08 -0.02 5.44 5.12 -1.26 -2.15 116.66 120.12 2cqi n ARG 18 Ca 0.11 0.22 -0.08 0.00 -1.93 0.00 0.00 57.85 56.17 2cqi n ARG 18 Cb 0.52 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 30.18 2cqi n ARG 18 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2cqi h ASP 19 N 0.00 0.00 -3.57 0.55 3.32 -1.99 -3.47 116.42 111.26 2cqi h ASP 19 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2cqi h ASP 19 Cb 0.20 0.00 0.19 0.00 0.22 0.00 0.00 39.33 39.93 2cqi h ASP 19 CO 0.00 0.98 -0.13 0.52 -1.72 0.00 0.00 179.24 178.89 2cqi n VAL 20 N -3.05 2.04 -4.06 -1.35 0.31 -0.91 -5.03 118.33 106.27 2cqi n VAL 20 Ca -0.16 -0.34 -0.07 0.00 -0.01 0.00 0.00 64.34 63.75 2cqi n VAL 20 Cb 1.04 -0.92 -0.10 0.00 -0.91 0.00 0.00 33.84 32.95 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 -1.95 0.21 0.22 2.52 -4.23 -1.26 -4.98 115.64 106.17 2cqi s THR 21 Ca 0.69 -1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 59.39 2cqi s THR 21 Cb -0.33 -1.49 0.17 0.00 1.34 0.00 0.00 72.50 72.19 2cqi s THR 21 CO 0.55 -0.95 1.75 -0.08 -0.54 0.00 0.00 174.62 175.34 2cqi h GLU 22 N 3.12 0.44 -0.69 3.99 4.22 -1.96 -1.16 114.58 122.54 2cqi h GLU 22 Ca -0.34 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.02 2cqi h GLU 22 Cb 1.15 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2cqi h GLU 22 CO 0.65 0.29 0.21 0.28 -2.18 0.00 0.00 179.01 178.26 2cqi h VAL 23 N 0.46 1.26 -0.05 0.32 2.07 -1.96 -2.35 116.25 115.98 2cqi h VAL 23 Ca 0.34 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 67.00 2cqi h VAL 23 Cb 0.44 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2cqi h VAL 23 CO -0.32 0.34 -0.07 0.25 0.02 0.00 0.00 177.57 177.79 2cqi h LEU 24 N 1.01 -0.21 -0.33 2.57 6.46 -1.65 -0.73 115.31 122.43 2cqi h LEU 24 Ca 0.22 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 58.05 2cqi h LEU 24 Cb 0.31 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 2cqi h LEU 24 CO -0.01 -0.10 0.15 0.40 -0.62 0.00 0.00 178.44 178.26 2cqi h ILE 25 N -0.10 0.96 -0.35 4.05 1.08 -1.22 -1.60 117.51 120.33 2cqi h ILE 25 Ca 0.05 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.44 2cqi h ILE 25 Cb 0.16 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 2cqi h ILE 25 CO -0.11 0.06 0.24 -0.07 -0.69 0.00 0.00 178.15 177.57 2cqi h LEU 26 N 0.31 0.33 -0.14 1.44 3.38 -1.12 0.42 115.31 119.93 2cqi h LEU 26 Ca 0.14 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2cqi h LEU 26 Cb 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2cqi h LEU 26 CO -0.11 0.23 -0.04 1.56 0.09 0.00 0.00 178.44 180.17 2cqi h GLN 27 N 0.38 0.27 -0.23 1.13 1.08 -0.21 0.54 115.11 118.07 2cqi h GLN 27 Ca 0.14 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 2cqi h GLN 27 Cb 0.09 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2cqi h GLN 27 CO -0.03 0.56 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.30 2cqi h LEU 28 N -0.04 0.44 -0.72 1.46 3.38 -0.84 -2.74 115.31 116.26 2cqi h LEU 28 Ca 0.04 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 2cqi h LEU 28 Cb 0.46 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2cqi h LEU 28 CO 0.01 0.69 -0.47 -0.26 0.09 0.00 0.00 178.44 178.50 2cqi h PHE 29 N 0.18 0.49 -0.46 1.13 -1.00 -0.96 -2.99 116.94 113.34 2cqi h PHE 29 Ca 0.06 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 2cqi h PHE 29 Cb 0.49 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 2cqi h PHE 29 CO 0.05 0.80 0.27 1.03 -1.61 0.00 0.00 178.31 178.85 2cqi h SER 30 N 0.33 0.54 -0.62 2.17 0.87 0.17 -1.61 113.55 115.41 2cqi h SER 30 Ca 0.02 -0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2cqi h SER 30 Cb 0.95 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 2cqi h SER 30 CO 0.08 0.43 0.41 1.56 -0.53 0.00 0.00 176.83 178.78 2cqi h GLN 31 N 0.63 0.51 0.01 2.24 4.20 -1.32 -2.82 115.11 118.55 2cqi h GLN 31 Ca 0.17 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 2cqi h GLN 31 Cb -0.01 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2cqi h GLN 31 CO -0.03 0.33 -0.24 0.82 -0.67 0.00 0.00 178.83 179.04 2cqi h ILE 32 N 0.52 1.64 -3.17 2.54 2.04 -1.44 -3.49 117.51 116.15 2cqi h ILE 32 Ca 0.28 -2.33 0.03 0.00 1.00 0.00 0.00 64.86 63.84 2cqi h ILE 32 Cb 0.41 3.20 -0.06 0.00 -0.74 0.00 0.00 36.82 39.63 2cqi h ILE 32 CO -0.08 0.57 0.14 -0.83 0.00 0.00 0.00 178.15 177.94 2cqi s GLY 33 N -4.34 0.06 0.03 5.37 0.00 -0.79 -5.00 107.32 102.64 2cqi s GLY 33 Ca -0.20 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 2cqi s GLY 33 CO 0.68 -0.23 1.43 2.56 0.00 0.00 0.00 173.10 177.54 2cqi s PRO 34 N -3.94 4.28 -0.17 2.90 0.04 -1.26 -3.81 135.00 133.04 2cqi s PRO 34 Ca 0.14 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 2cqi s PRO 34 Cb -0.04 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 2cqi s PRO 34 CO 0.07 -0.57 0.24 0.00 0.04 0.00 0.00 177.00 176.79 2cqi h LYS 36 N 6.60 0.07 -1.68 0.00 3.64 -0.66 -3.47 116.57 121.06 2cqi h LYS 36 Ca -0.42 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 58.95 2cqi h LYS 36 Cb 1.16 0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.75 2cqi h LYS 36 CO 0.75 0.69 0.41 0.45 -2.27 0.00 0.00 179.45 179.48 2cqi s SER 37 N -5.95 -0.49 -0.06 4.20 0.15 -1.22 -5.03 113.70 105.30 2cqi s SER 37 Ca -0.16 0.80 0.02 0.00 0.70 0.00 0.00 55.95 57.32 2cqi s SER 37 Cb 0.01 0.77 0.01 0.00 -1.71 0.00 0.00 66.02 65.10 2cqi s SER 37 CO 0.70 -0.26 -0.12 0.00 1.20 0.00 0.00 173.24 174.75 2cqi s LYS 39 N 0.59 1.91 -0.26 0.00 2.20 -0.67 -4.96 119.74 118.55 2cqi s LYS 39 Ca -0.13 -0.81 -0.17 0.00 -0.36 0.00 0.00 55.97 54.49 2cqi s LYS 39 Cb -0.15 -2.38 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 2cqi s LYS 39 CO 0.04 -0.44 0.49 1.41 -0.36 0.00 0.00 175.35 176.48 2cqi s MET 40 N 1.43 4.05 -0.26 4.03 -2.45 -1.26 -0.34 119.30 124.50 2cqi s MET 40 Ca -0.01 0.27 -0.06 0.00 -1.25 0.00 0.00 55.69 54.63 2cqi s MET 40 Cb -0.16 -3.65 -0.01 0.00 1.25 0.00 0.00 34.83 32.25 2cqi s MET 40 CO -0.08 -0.34 0.05 0.42 1.05 0.00 0.00 175.02 176.12 2cqi s ILE 41 N 2.27 4.00 -0.32 10.11 1.01 0.76 -4.96 121.20 134.08 2cqi s ILE 41 Ca 0.20 -0.40 0.12 0.00 0.00 0.00 0.00 60.65 60.57 2cqi s ILE 41 Cb -0.16 -2.92 0.46 0.00 0.01 0.00 0.00 42.46 39.86 2cqi s ILE 41 CO 0.09 0.28 1.13 0.35 0.00 0.00 0.00 174.94 176.79 2cqi n THR 42 N 4.88 2.03 -1.41 2.92 -2.24 -1.26 -2.16 114.28 117.04 2cqi n THR 42 Ca -0.16 -3.94 -0.15 0.00 -2.27 0.00 0.00 64.05 57.53 2cqi n THR 42 Cb 0.50 -0.40 0.17 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.56 2.14 -3.96 -0.78 0.28 -1.26 -4.89 120.64 111.61 2cqi n GLU 43 Ca 0.30 -3.20 -0.33 0.00 -0.16 0.00 0.00 57.16 53.78 2cqi n GLU 43 Cb 0.85 -2.01 -0.14 0.00 1.43 0.00 0.00 31.44 31.57 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 -3.34 3.58 -0.24 -1.84 3.76 -1.26 -4.98 115.29 110.96 2cqi s HIS 44 Ca 0.51 -2.62 -0.02 0.00 -0.15 0.00 0.00 55.06 52.77 2cqi s HIS 44 Cb 0.44 -2.72 0.06 0.00 1.11 0.00 0.00 32.58 31.47 2cqi s HIS 44 CO 0.04 -0.93 2.47 -2.37 -0.85 0.00 0.00 174.74 173.10 2cqi n THR 45 N 4.40 2.81 0.00 1.30 5.66 -1.26 -3.86 114.28 123.34 2cqi n THR 45 Ca -0.03 -1.76 0.00 0.00 -3.05 0.00 0.00 64.05 59.21 2cqi n THR 45 Cb 0.42 -1.54 0.00 0.00 -1.55 0.00 0.00 70.33 67.66 2cqi n THR 45 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2cqi n SER 46 N 1.04 1.73 -3.38 1.09 3.41 -1.26 -5.13 113.62 111.11 2cqi n SER 46 Ca 0.31 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.80 2cqi n SER 46 Cb 0.61 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 2cqi n SER 46 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2cqi s ASN 47 N -4.23 0.55 0.60 4.04 -0.87 -1.25 -5.14 114.94 108.63 2cqi s ASN 47 Ca 0.00 -1.31 -0.18 0.00 -1.57 0.00 0.00 52.86 49.80 2cqi s ASN 47 Cb 0.00 0.67 -0.13 0.00 -0.02 0.00 0.00 41.25 41.77 2cqi s ASN 47 CO 0.00 -1.31 -0.03 0.47 -2.57 0.00 0.00 177.10 173.66 2cqi n ASP 48 N -1.16 -3.27 -4.04 -1.22 8.00 -1.26 -4.85 116.55 108.75 2cqi n ASP 48 Ca -0.01 0.61 -0.30 0.00 0.71 0.00 0.00 54.79 55.80 2cqi n ASP 48 Cb 0.61 -0.93 0.22 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.49 -0.83 -0.02 -0.24 0.04 -1.26 -4.66 135.00 126.56 2cqi s PRO 49 Ca 0.58 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.50 2cqi s PRO 49 Cb -0.44 -1.63 0.04 0.00 0.04 0.00 0.00 34.50 32.51 2cqi s PRO 49 CO 0.65 -3.48 0.41 1.52 0.04 0.00 0.00 177.00 176.15 2cqi s TYR 50 N -2.99 -0.31 0.08 0.56 -0.85 -0.92 -3.25 117.35 109.67 2cqi s TYR 50 Ca 0.69 0.48 0.03 0.00 -0.52 0.00 0.00 57.07 57.75 2cqi s TYR 50 Cb -0.12 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 2cqi s TYR 50 CO 0.56 -0.46 -0.09 0.00 -1.52 0.00 0.00 175.55 174.04 2cqi s PHE 52 N -2.31 3.22 -0.14 0.00 0.08 0.54 -0.26 117.98 119.10 2cqi s PHE 52 Ca 0.02 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.27 2cqi s PHE 52 Cb -0.04 -1.85 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2cqi s PHE 52 CO -0.01 0.44 -0.13 0.08 -0.10 0.00 0.00 175.22 175.50 2cqi s VAL 53 N -0.69 1.49 -0.10 -0.44 1.01 -0.28 -1.67 120.40 119.72 2cqi s VAL 53 Ca 0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2cqi s VAL 53 Cb -0.12 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2cqi s VAL 53 CO 0.02 0.45 -0.06 -0.70 0.00 0.00 0.00 175.10 174.81 2cqi s GLU 54 N 1.52 3.06 0.30 2.72 2.12 -0.78 -0.63 118.70 126.99 2cqi s GLU 54 Ca 0.05 -0.54 0.09 0.00 0.36 0.00 0.00 54.97 54.93 2cqi s GLU 54 Cb -0.13 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 2cqi s GLU 54 CO -0.10 0.52 0.10 -0.06 -0.54 0.00 0.00 175.26 175.18 2cqi s PHE 55 N -0.42 2.77 0.07 5.30 0.08 0.46 0.04 117.98 126.28 2cqi s PHE 55 Ca 0.06 -0.27 -0.14 0.00 0.12 0.00 0.00 56.93 56.70 2cqi s PHE 55 Cb -0.12 -1.43 -0.25 0.00 -0.57 0.00 0.00 43.02 40.65 2cqi s PHE 55 CO 0.02 0.47 1.16 1.88 -0.10 0.00 0.00 175.22 178.66 2cqi h TYR 56 N 1.66 1.03 -2.31 0.36 0.05 -1.87 -3.43 116.97 112.46 2cqi h TYR 56 Ca -0.45 -0.58 -0.57 0.00 0.05 0.00 0.00 58.73 57.18 2cqi h TYR 56 Cb 1.25 -0.11 -0.11 0.00 1.01 0.00 0.00 36.73 38.77 2cqi h TYR 56 CO 0.63 1.42 -0.67 -1.21 -1.05 0.00 0.00 178.16 177.28 2cqi s GLU 57 N -3.23 2.19 0.14 4.88 0.41 -1.26 -5.04 118.70 116.79 2cqi s GLU 57 Ca -0.10 -1.44 -0.06 0.00 -0.41 0.00 0.00 54.97 52.96 2cqi s GLU 57 Cb 0.06 -2.11 -0.04 0.00 -1.78 0.00 0.00 34.13 30.26 2cqi s GLU 57 CO 0.92 0.37 1.38 1.25 -0.49 0.00 0.00 175.26 178.69 2cqi h HIS 58 N 2.07 0.79 -0.92 1.61 -0.00 -1.89 -2.97 115.15 113.84 2cqi h HIS 58 Ca -0.44 -0.35 0.02 0.00 -0.00 0.00 0.00 60.37 59.60 2cqi h HIS 58 Cb 1.24 -0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 28.49 2cqi h HIS 58 CO 0.69 1.14 0.61 0.07 -0.00 0.00 0.00 177.93 180.44 2cqi h ARG 59 N 0.40 1.19 -0.21 5.26 0.11 -1.96 -1.54 114.38 117.63 2cqi h ARG 59 Ca -0.04 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.94 2cqi h ARG 59 Cb 1.35 -0.27 -0.01 0.00 1.11 0.00 0.00 29.97 32.15 2cqi h ARG 59 CO 0.14 0.79 0.02 -0.44 0.10 0.00 0.00 179.97 180.58 2cqi h ASP 60 N 1.23 0.36 -0.71 0.08 3.32 -1.97 -1.00 116.42 117.74 2cqi h ASP 60 Ca 0.34 -0.29 0.05 0.00 0.02 0.00 0.00 57.03 57.16 2cqi h ASP 60 Cb -0.11 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 2cqi h ASP 60 CO -0.08 0.56 0.41 0.00 -1.72 0.00 0.00 179.24 178.41 2cqi h ALA 61 N 0.81 0.95 -0.43 3.45 0.00 -1.32 0.19 119.26 122.92 2cqi h ALA 61 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2cqi h ALA 61 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2cqi h ALA 61 CO 0.01 0.12 -0.13 0.00 0.00 0.00 0.00 179.25 179.25 2cqi h ALA 62 N 1.35 0.60 -0.14 0.00 0.00 -1.19 0.72 119.26 120.59 2cqi h ALA 62 Ca 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2cqi h ALA 62 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2cqi h ALA 62 CO -0.16 0.51 0.03 0.00 0.00 0.00 0.00 179.25 179.62 2cqi h ALA 63 N 0.85 0.19 -0.20 0.00 0.00 -0.64 -2.39 119.26 117.07 2cqi h ALA 63 Ca 0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2cqi h ALA 63 Cb 0.68 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2cqi h ALA 63 CO 0.05 -0.16 -0.34 0.00 0.00 0.00 0.00 179.25 178.80 2cqi h ALA 64 N 0.82 1.04 0.10 0.00 0.00 -0.63 -1.59 119.26 118.99 2cqi h ALA 64 Ca 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2cqi h ALA 64 Cb 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2cqi h ALA 64 CO 0.00 0.59 -0.05 1.25 0.00 0.00 0.00 179.25 181.04 2cqi h LEU 65 N 0.36 -0.13 -0.40 0.00 5.85 -0.72 0.52 115.31 120.79 2cqi h LEU 65 Ca 0.04 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2cqi h LEU 65 Cb 0.77 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2cqi h LEU 65 CO 0.06 -0.09 -0.16 0.00 -0.34 0.00 0.00 178.44 177.91 2cqi h ALA 66 N 0.75 0.56 -0.39 1.25 0.00 -1.40 1.27 119.26 121.31 2cqi h ALA 66 Ca -0.01 -0.35 -0.07 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 0.02 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.68 2cqi h ALA 67 N 0.82 1.15 0.00 0.00 0.00 -1.14 -2.76 119.26 117.34 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 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2cqi h ALA 67 CO 0.05 0.54 -0.96 -1.33 0.00 0.00 0.00 179.25 177.55 2cqi n MET 68 N -4.20 0.26 -1.55 0.00 2.81 0.18 -4.61 117.12 110.00 2cqi n MET 68 Ca 0.01 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.52 2cqi n MET 68 Cb 0.32 -1.59 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.93 2.43 -1.74 7.83 4.05 0.44 -1.30 115.26 125.04 2cqi n ASN 69 Ca 0.02 -0.22 -0.13 0.00 0.45 0.00 0.00 54.58 54.71 2cqi n ASN 69 Cb 0.43 -1.52 0.02 0.00 1.23 0.00 0.00 39.78 39.94 2cqi n ASN 69 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2cqi n GLY 70 N 6.02 -0.04 3.87 8.20 0.00 0.88 -4.85 105.19 119.27 2cqi n GLY 70 Ca 0.37 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 3.17 -0.33 1.61 3.52 -0.42 -4.65 118.95 116.79 2cqi s ARG 71 Ca 0.14 0.62 -0.15 0.00 -0.13 0.00 0.00 55.73 56.20 2cqi s ARG 71 Cb -0.06 -2.04 -0.02 0.00 -1.56 0.00 0.00 34.95 31.27 2cqi s ARG 71 CO 0.17 -0.85 0.37 0.15 -0.81 0.00 0.00 175.30 174.33 2cqi s LYS 72 N -5.26 3.63 -0.07 5.12 -0.14 -1.26 -0.02 119.74 121.73 2cqi s LYS 72 Ca 0.57 -0.35 -0.01 0.00 -1.36 0.00 0.00 55.97 54.82 2cqi s LYS 72 Cb -0.11 -3.78 0.03 0.00 -1.68 0.00 0.00 37.83 32.28 2cqi s LYS 72 CO 0.53 -0.49 -0.01 0.42 -0.76 0.00 0.00 175.35 175.03 2cqi s ILE 73 N 2.04 0.44 -1.52 2.17 1.01 -0.01 -4.81 121.20 120.52 2cqi s ILE 73 Ca 0.12 0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 2cqi s ILE 73 Cb -0.16 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.75 2cqi s ILE 73 CO 0.12 0.26 0.76 0.18 0.00 0.00 0.00 174.94 176.25 2cqi n LEU 74 N 4.88 -2.88 0.00 2.97 4.77 -1.26 -1.02 117.00 124.46 2cqi n LEU 74 Ca -0.12 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 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 0.14 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2cqi n GLY 75 N -1.66 1.92 3.40 -0.72 0.00 -1.26 -4.97 105.19 101.90 2cqi n GLY 75 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.06 3.45 0.01 1.61 2.20 -0.18 -5.10 119.74 121.67 2cqi s LYS 76 Ca 0.00 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 2cqi s LYS 76 Cb 0.00 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 2cqi s LYS 76 CO 0.00 0.22 1.09 -2.00 -0.36 0.00 0.00 175.35 174.30 2cqi s GLU 77 N 0.34 4.48 -0.11 4.03 2.12 -1.26 -0.83 118.70 127.47 2cqi s GLU 77 Ca -0.09 1.58 -0.04 0.00 0.36 0.00 0.00 54.97 56.77 2cqi s GLU 77 Cb -0.16 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 2cqi s GLU 77 CO 0.05 -0.20 0.04 0.14 -0.54 0.00 0.00 175.26 174.75 2cqi s VAL 78 N 1.26 4.61 -0.19 3.70 -7.23 0.96 -4.74 120.40 118.76 2cqi s VAL 78 Ca 0.55 -0.13 -0.09 0.00 -1.81 0.00 0.00 61.98 60.50 2cqi s VAL 78 Cb -0.24 -2.98 -0.05 0.00 0.56 0.00 0.00 36.38 33.67 2cqi s VAL 78 CO 0.27 0.58 0.11 -1.59 -0.31 0.00 0.00 175.10 174.16 2cqi s LYS 79 N -0.64 4.12 -0.10 4.82 -2.85 -0.01 -0.09 119.74 125.00 2cqi s LYS 79 Ca 0.11 -0.25 0.03 0.00 -1.00 0.00 0.00 55.97 54.86 2cqi s LYS 79 Cb -0.12 -3.36 0.01 0.00 -2.06 0.00 0.00 37.83 32.30 2cqi s LYS 79 CO 0.02 0.30 -0.18 0.08 0.10 0.00 0.00 175.35 175.68 2cqi s VAL 80 N 0.33 1.62 0.06 1.79 1.01 -1.26 -0.33 120.40 123.62 2cqi s VAL 80 Ca 0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2cqi s VAL 80 Cb -0.11 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2cqi s VAL 80 CO -0.01 0.46 -0.00 0.21 0.00 0.00 0.00 175.10 175.76 2cqi s ASN 81 N 0.70 0.44 0.02 3.32 3.84 -0.83 -4.59 114.94 117.84 2cqi s ASN 81 Ca -0.12 -0.99 -0.30 0.00 0.21 0.00 0.00 52.86 51.65 2cqi s ASN 81 Cb -0.16 0.22 -0.08 0.00 -0.55 0.00 0.00 41.25 40.69 2cqi s ASN 81 CO 0.03 -0.63 1.79 0.26 -2.79 0.00 0.00 177.10 175.76 2cqi s TRP 82 N -3.93 1.81 -0.05 0.43 0.52 -1.26 -0.23 118.94 116.24 2cqi s TRP 82 Ca 0.09 -0.05 -0.04 0.00 0.02 0.00 0.00 56.10 56.12 2cqi s TRP 82 Cb 0.08 -4.07 -0.02 0.00 -1.15 0.00 0.00 33.47 28.30 2cqi s TRP 82 CO -0.09 -4.60 0.22 0.00 0.02 0.00 0.00 176.95 172.50 2cqi h ALA 83 N 9.62 -0.20 -0.22 0.98 0.00 -1.63 -3.38 119.26 124.43 2cqi h ALA 83 Ca -0.44 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.49 2cqi h ALA 83 Cb 1.21 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2cqi h ALA 83 CO 0.94 -0.19 -0.37 1.15 0.00 0.00 0.00 179.25 180.79 2cqi h THR 84 N -0.70 0.20 -3.76 0.00 2.02 -1.92 -3.41 112.91 105.33 2cqi h THR 84 Ca -0.01 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.49 2cqi h THR 84 Cb 0.11 0.20 -0.19 0.00 -1.74 0.00 0.00 68.15 66.53 2cqi h THR 84 CO 0.02 0.00 -0.76 0.42 0.37 0.00 0.00 175.52 175.58 2cqi s THR 85 N -5.94 3.20 1.00 3.16 -4.23 -1.26 -5.13 115.64 106.44 2cqi s THR 85 Ca -0.15 -1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 59.16 2cqi s THR 85 Cb 0.11 -2.40 0.19 0.00 1.34 0.00 0.00 72.50 71.74 2cqi s THR 85 CO 0.66 0.30 1.09 -2.16 -0.54 0.00 0.00 174.62 173.97 2cqi s PRO 86 N -1.61 0.42 -1.01 3.99 0.04 -1.26 -4.25 135.00 131.32 2cqi s PRO 86 Ca 0.17 0.53 -0.24 0.00 0.04 0.00 0.00 61.00 61.50 2cqi s PRO 86 Cb -0.11 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2cqi s PRO 86 CO 0.08 -2.74 1.92 0.45 0.04 0.00 0.00 177.00 176.75 2cqi s SER 87 N -3.45 5.18 -0.54 6.66 0.15 -1.26 -4.75 113.70 115.68 2cqi s SER 87 Ca 0.65 -1.07 0.01 0.00 0.70 0.00 0.00 55.95 56.24 2cqi s SER 87 Cb -0.19 -2.57 0.50 0.00 -1.71 0.00 0.00 66.02 62.05 2cqi s SER 87 CO 0.58 -2.79 1.85 -1.54 1.20 0.00 0.00 173.24 172.53 2cqi n SER 88 N 13.86 6.16 -4.23 5.45 3.41 -1.26 -4.95 113.62 132.06 2cqi n SER 88 Ca 0.42 -3.75 -0.25 0.00 -0.26 0.00 0.00 58.87 55.03 2cqi n SER 88 Cb 0.47 -0.83 -0.14 0.00 -0.26 0.00 0.00 64.21 63.44 2cqi n SER 88 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2cqi s GLN 89 N -3.65 1.34 -0.30 4.33 2.00 -1.26 -5.12 119.66 116.99 2cqi s GLN 89 Ca 0.60 -0.88 -0.08 0.00 -2.00 0.00 0.00 55.36 53.00 2cqi s GLN 89 Cb 0.48 -1.42 0.17 0.00 0.80 0.00 0.00 33.01 33.05 2cqi s GLN 89 CO 0.02 0.36 0.77 0.21 -0.50 0.00 0.00 175.29 176.16 2cqi s LYS 90 N -1.08 0.45 0.18 1.67 2.20 -1.26 -5.04 119.74 116.85 2cqi s LYS 90 Ca 0.07 0.93 -0.12 0.00 -0.36 0.00 0.00 55.97 56.48 2cqi s LYS 90 Cb -0.08 0.54 0.21 0.00 -1.51 0.00 0.00 37.83 36.99 2cqi s LYS 90 CO 0.01 -0.34 1.19 0.45 -0.36 0.00 0.00 175.35 176.31 2cqi n SER 91 N 5.36 -0.47 0.00 1.43 2.88 -1.26 -4.90 113.62 116.66 2cqi n SER 91 Ca -0.06 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2cqi n SER 91 Cb 0.51 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2cqi n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqi n GLY 92 N -1.38 0.91 0.20 0.46 0.00 -1.26 -4.91 105.19 99.22 2cqi n GLY 92 Ca 0.09 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 2cqi n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqi h PRO 93 N 7.38 0.67 -4.59 1.61 0.13 -2.07 -3.39 132.00 131.75 2cqi h PRO 93 Ca 0.00 -0.35 -0.72 0.00 -0.87 0.00 0.00 66.00 64.06 2cqi h PRO 93 Cb 0.00 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 30.94 2cqi h PRO 93 CO 0.00 0.96 0.30 -1.54 -0.23 0.00 0.00 178.00 177.49 2cqi s SER 94 N -6.50 6.43 -0.04 1.44 1.04 -1.26 -5.00 113.70 109.81 2cqi s SER 94 Ca -0.12 -1.87 -0.08 0.00 0.48 0.00 0.00 55.95 54.36 2cqi s SER 94 Cb 0.08 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.91 2cqi s SER 94 CO 0.82 -0.98 0.18 -0.94 0.98 0.00 0.00 173.24 173.30 2cqi s SER 95 N 3.30 -0.11 0.00 7.02 1.04 -1.26 -5.12 113.70 118.57 2cqi s SER 95 Ca 0.18 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2cqi s SER 95 Cb -0.16 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2cqi s SER 95 CO -0.01 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.59