#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqx n SER 2 N 0.00 1.90 -3.44 1.61 3.41 -1.26 -5.01 113.62 110.84 2cqx n SER 2 Ca 0.00 0.39 -0.22 0.00 -0.26 0.00 0.00 58.87 58.78 2cqx n SER 2 Cb 0.00 -0.90 0.08 0.00 -0.26 0.00 0.00 64.21 63.13 2cqx n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cqx n SER 3 N -4.36 -5.33 0.00 4.04 7.64 -1.26 -4.97 113.62 109.38 2cqx n SER 3 Ca -0.41 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 58.93 2cqx n SER 3 Cb 0.76 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 2cqx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqx n GLY 4 N -1.78 0.51 3.21 0.23 0.00 -1.26 -5.14 105.19 100.96 2cqx n GLY 4 Ca -0.05 0.65 -0.35 0.00 0.00 0.00 0.00 46.02 46.27 2cqx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqx s SER 5 N 0.00 4.68 0.06 1.61 1.04 -1.26 -5.08 113.70 114.75 2cqx s SER 5 Ca 0.00 -1.02 -0.25 0.00 0.48 0.00 0.00 55.95 55.16 2cqx s SER 5 Cb 0.00 -1.72 0.06 0.00 0.10 0.00 0.00 66.02 64.47 2cqx s SER 5 CO 0.00 -0.20 0.59 -0.94 0.98 0.00 0.00 173.24 173.67 2cqx s SER 6 N 1.32 -0.54 -0.30 7.02 1.04 -1.26 -5.15 113.70 115.84 2cqx s SER 6 Ca -0.02 0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 2cqx s SER 6 Cb -0.18 0.54 0.19 0.00 0.10 0.00 0.00 66.02 66.66 2cqx s SER 6 CO -0.02 -0.77 1.03 -0.83 0.98 0.00 0.00 173.24 173.62 2cqx s GLY 7 N -2.03 -1.06 -0.99 7.32 0.00 -1.26 -5.05 107.32 104.25 2cqx s GLY 7 Ca -0.05 1.90 -0.05 0.00 0.00 0.00 0.00 44.72 46.53 2cqx s GLY 7 CO -0.02 4.13 2.55 0.61 0.00 0.00 0.00 173.10 180.37 2cqx n GLY 8 N 4.85 4.86 3.00 0.20 0.00 -1.26 -4.90 105.19 111.94 2cqx n GLY 8 Ca 0.09 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 2cqx n GLY 8 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2cqx s ILE 9 N -1.47 0.15 0.48 -0.61 -4.36 -1.26 -5.17 121.20 108.96 2cqx s ILE 9 Ca 0.56 -1.06 0.07 0.00 -0.26 0.00 0.00 60.65 59.95 2cqx s ILE 9 Cb 0.26 -0.48 0.00 0.00 1.25 0.00 0.00 42.46 43.49 2cqx s ILE 9 CO -0.14 -0.58 0.35 -0.54 0.24 0.00 0.00 174.94 174.28 2cqx s LYS 10 N -1.87 2.33 -0.19 0.37 -0.14 -1.26 -5.08 119.74 113.90 2cqx s LYS 10 Ca -0.12 -1.84 -0.16 0.00 -1.36 0.00 0.00 55.97 52.49 2cqx s LYS 10 Cb -0.07 -2.16 -0.12 0.00 -1.68 0.00 0.00 37.83 33.80 2cqx s LYS 10 CO -0.02 -0.39 -0.02 -0.25 -0.76 0.00 0.00 175.35 173.91 2cqx n ASP 11 N -1.59 1.86 -3.59 2.83 8.00 -1.26 -5.07 116.55 117.73 2cqx n ASP 11 Ca 0.00 0.49 -0.07 0.00 0.71 0.00 0.00 54.79 55.92 2cqx n ASP 11 Cb 0.64 -0.90 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 2cqx n ASP 11 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2cqx s SER 12 N -6.46 -0.24 -0.25 -2.24 1.04 -1.26 -5.13 113.70 99.16 2cqx s SER 12 Ca -0.25 0.18 -0.29 0.00 0.48 0.00 0.00 55.95 56.07 2cqx s SER 12 Cb 0.05 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2cqx s SER 12 CO 0.44 -0.29 1.63 -2.16 0.98 0.00 0.00 173.24 173.84 2cqx s PRO 13 N -1.65 3.70 -0.35 4.02 0.04 -1.26 -4.86 135.00 134.64 2cqx s PRO 13 Ca 0.04 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.34 2cqx s PRO 13 Cb -0.01 -4.06 -0.13 0.00 0.04 0.00 0.00 34.50 30.34 2cqx s PRO 13 CO -0.03 -1.41 1.44 0.28 0.04 0.00 0.00 177.00 177.32 2cqx n VAL 14 N 6.63 0.00 -5.07 -0.36 0.31 -1.26 -4.90 118.33 113.68 2cqx n VAL 14 Ca 0.19 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.20 2cqx n VAL 14 Cb 0.46 -0.35 -0.15 0.00 -0.91 0.00 0.00 33.84 32.89 2cqx n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2cqx s ASN 15 N 3.92 3.57 0.29 4.52 4.22 -1.26 -5.13 114.94 125.07 2cqx s ASN 15 Ca 0.82 -0.35 0.07 0.00 -2.14 0.00 0.00 52.86 51.27 2cqx s ASN 15 Cb -1.05 -0.78 -0.03 0.00 1.28 0.00 0.00 41.25 40.67 2cqx s ASN 15 CO 0.47 0.30 0.26 -0.54 -2.04 0.00 0.00 177.10 175.55 2cqx s LYS 16 N -0.48 2.85 -0.25 3.55 1.02 -1.26 -5.06 119.74 120.11 2cqx s LYS 16 Ca 0.06 -1.16 -0.16 0.00 0.02 0.00 0.00 55.97 54.73 2cqx s LYS 16 Cb -0.12 -2.54 -0.13 0.00 -0.52 0.00 0.00 37.83 34.53 2cqx s LYS 16 CO 0.01 0.25 -0.21 1.33 -0.92 0.00 0.00 175.35 175.81 2cqx n VAL 17 N -1.29 1.52 -3.52 3.17 0.24 -1.26 -5.08 118.33 112.12 2cqx n VAL 17 Ca -0.05 -0.22 -0.09 0.00 -2.04 0.00 0.00 64.34 61.94 2cqx n VAL 17 Cb 0.59 -1.99 -0.02 0.00 -1.47 0.00 0.00 33.84 30.95 2cqx n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2cqx s GLU 18 N -2.50 1.09 0.00 7.34 0.41 -1.26 -5.01 118.70 118.77 2cqx s GLU 18 Ca -0.34 -0.44 0.10 0.00 -0.41 0.00 0.00 54.97 53.88 2cqx s GLU 18 Cb 0.11 0.48 0.62 0.00 -1.78 0.00 0.00 34.13 33.56 2cqx s GLU 18 CO 0.50 -0.48 1.06 -0.35 -0.49 0.00 0.00 175.26 175.49 2cqx n PRO 19 N -0.33 0.49 -0.21 0.39 -0.04 -1.26 -3.27 135.00 130.77 2cqx n PRO 19 Ca -0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.34 2cqx n PRO 19 Cb 0.63 -1.33 0.06 0.00 -0.04 0.00 0.00 33.50 32.82 2cqx n PRO 19 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cqx n ASN 20 N -0.83 2.42 -0.34 3.54 5.03 -1.26 -4.40 115.26 119.41 2cqx n ASN 20 Ca 0.08 -2.24 0.25 0.00 0.87 0.00 0.00 54.58 53.54 2cqx n ASN 20 Cb 0.04 -0.55 0.50 0.00 -1.02 0.00 0.00 39.78 38.74 2cqx n ASN 20 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 2cqx h ASP 21 N 0.57 0.48 -1.04 6.41 1.82 -2.01 0.45 116.42 123.10 2cqx h ASP 21 Ca 0.05 0.19 0.36 0.00 -0.39 0.00 0.00 57.03 57.24 2cqx h ASP 21 Cb 1.02 0.14 -0.11 0.00 0.68 0.00 0.00 39.33 41.07 2cqx h ASP 21 CO 0.15 -0.15 0.67 0.41 -1.61 0.00 0.00 179.24 178.71 2cqx n THR 22 N -5.02 -0.19 -0.06 2.25 -1.04 -1.26 0.23 114.28 109.19 2cqx n THR 22 Ca 0.32 1.36 -0.11 0.00 -2.04 0.00 0.00 64.05 63.58 2cqx n THR 22 Cb 1.03 -2.23 -0.05 0.00 -1.82 0.00 0.00 70.33 67.26 2cqx n THR 22 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2cqx h LEU 23 N 0.00 0.31 -1.25 -4.42 4.07 -1.28 -2.92 115.31 109.83 2cqx h LEU 23 Ca 0.66 -0.27 0.43 0.00 0.08 0.00 0.00 57.88 58.78 2cqx h LEU 23 Cb 2.14 -0.08 -0.12 0.00 1.08 0.00 0.00 40.66 43.67 2cqx h LEU 23 CO -0.35 0.51 0.80 1.21 -1.08 0.00 0.00 178.44 179.53 2cqx n GLU 24 N -4.74 -0.03 0.02 1.13 0.00 0.63 -0.29 120.64 117.36 2cqx n GLU 24 Ca -0.04 1.11 -0.01 0.00 0.00 0.00 0.00 57.16 58.22 2cqx n GLU 24 Cb 0.20 -2.21 -0.01 0.00 0.00 0.00 0.00 31.44 29.43 2cqx n GLU 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2cqx h LYS 25 N 0.00 -0.07 -1.13 5.31 3.64 -1.56 -3.30 116.57 119.47 2cqx h LYS 25 Ca 0.79 0.00 0.37 0.00 -1.27 0.00 0.00 60.65 60.54 2cqx h LYS 25 Cb 2.56 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 34.26 2cqx h LYS 25 CO -0.40 -0.05 0.69 -0.24 -2.27 0.00 0.00 179.45 177.18 2cqx h VAL 26 N -0.21 0.23 -0.64 2.00 3.04 -1.11 0.78 116.25 120.34 2cqx h VAL 26 Ca -0.01 -0.07 0.13 0.00 -1.01 0.00 0.00 66.70 65.74 2cqx h VAL 26 Cb 0.06 0.01 -0.10 0.00 -2.01 0.00 0.00 31.29 29.24 2cqx h VAL 26 CO 0.01 0.04 0.11 0.15 -1.01 0.00 0.00 177.57 176.87 2cqx h PHE 27 N 0.21 0.16 -0.35 3.17 3.04 -0.72 0.36 116.94 122.80 2cqx h PHE 27 Ca 0.76 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.75 2cqx h PHE 27 Cb 2.05 0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.59 2cqx h PHE 27 CO -0.01 -0.08 0.00 1.55 -2.02 0.00 0.00 178.31 177.75 2cqx n VAL 28 N -5.18 0.69 -0.13 1.41 3.14 0.11 0.01 118.33 118.39 2cqx n VAL 28 Ca 0.10 -0.85 -0.26 0.00 -2.96 0.00 0.00 64.34 60.38 2cqx n VAL 28 Cb 0.37 0.76 -0.09 0.00 -1.06 0.00 0.00 33.84 33.81 2cqx n VAL 28 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2cqx n SER 29 N 0.94 1.83 -0.08 6.55 2.88 0.23 -4.83 113.62 121.14 2cqx n SER 29 Ca 0.14 0.25 -0.13 0.00 -1.33 0.00 0.00 58.87 57.80 2cqx n SER 29 Cb 0.47 -0.69 -0.07 0.00 -0.75 0.00 0.00 64.21 63.17 2cqx n SER 29 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2cqx n VAL 30 N -4.00 0.89 -3.63 2.46 0.24 0.12 -5.00 118.33 109.40 2cqx n VAL 30 Ca -0.49 -0.30 -0.05 0.00 -2.04 0.00 0.00 64.34 61.46 2cqx n VAL 30 Cb 0.87 -1.29 -0.06 0.00 -1.47 0.00 0.00 33.84 31.88 2cqx n VAL 30 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2cqx s THR 31 N -2.31 0.00 -0.54 3.34 -1.32 -0.56 -5.02 115.64 109.23 2cqx s THR 31 Ca -0.22 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.50 2cqx s THR 31 Cb 0.07 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.38 2cqx s THR 31 CO 0.33 0.00 1.66 0.11 -2.21 0.00 0.00 174.62 174.52 2cqx h LYS 32 N 2.98 0.00 -2.80 7.08 1.57 -0.66 -3.30 116.57 121.43 2cqx h LYS 32 Ca -0.21 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.96 2cqx h LYS 32 Cb 1.19 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.09 2cqx h LYS 32 CO 0.20 0.00 -0.75 0.71 -0.57 0.00 0.00 179.45 179.04 2cqx s TYR 33 N -3.17 2.40 0.87 -1.35 1.51 -1.26 -4.96 117.35 111.39 2cqx s TYR 33 Ca 0.08 -2.82 -0.11 0.00 -1.01 0.00 0.00 57.07 53.21 2cqx s TYR 33 Cb 0.08 -1.92 0.11 0.00 -0.11 0.00 0.00 41.96 40.12 2cqx s TYR 33 CO 0.65 -0.69 1.09 -1.25 -1.11 0.00 0.00 175.55 174.24 2cqx s PRO 34 N -0.61 1.45 0.19 -1.71 0.04 -1.26 -5.07 135.00 128.04 2cqx s PRO 34 Ca 0.27 0.89 0.10 0.00 0.04 0.00 0.00 61.00 62.29 2cqx s PRO 34 Cb -0.05 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2cqx s PRO 34 CO -0.15 -2.12 -0.16 -0.51 0.04 0.00 0.00 177.00 174.10 2cqx s ASP 35 N -3.42 3.90 0.51 6.66 1.01 -1.26 -4.98 116.67 119.09 2cqx s ASP 35 Ca 0.63 -0.71 0.36 0.00 0.71 0.00 0.00 52.55 53.54 2cqx s ASP 35 Cb -0.18 -0.52 1.24 0.00 1.01 0.00 0.00 42.92 44.48 2cqx s ASP 35 CO 0.57 0.11 1.29 1.21 0.21 0.00 0.00 175.17 178.55 2cqx n GLU 36 N 0.09 0.01 0.20 8.23 0.00 -1.26 0.12 120.64 128.04 2cqx n GLU 36 Ca -0.11 0.94 -0.16 0.00 0.00 0.00 0.00 57.16 57.83 2cqx n GLU 36 Cb 0.56 -2.23 -0.08 0.00 0.00 0.00 0.00 31.44 29.69 2cqx n GLU 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2cqx h LYS 37 N 0.00 -0.76 -0.30 5.31 1.79 -2.02 -2.40 116.57 118.19 2cqx h LYS 37 Ca 0.67 0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 59.10 2cqx h LYS 37 Cb 3.05 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 33.86 2cqx h LYS 37 CO -0.01 -0.51 -0.23 -0.09 -1.08 0.00 0.00 179.45 177.54 2cqx h ARG 38 N -0.79 0.58 -0.82 3.15 2.43 -0.71 -2.75 114.38 115.46 2cqx h ARG 38 Ca -0.02 -0.22 0.24 0.00 -0.81 0.00 0.00 59.98 59.17 2cqx h ARG 38 Cb 0.74 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2cqx h ARG 38 CO -0.13 0.77 0.59 -0.07 -1.51 0.00 0.00 179.97 179.62 2cqx h LEU 39 N 0.51 0.02 -0.47 3.80 -0.00 -1.15 -0.71 115.31 117.31 2cqx h LEU 39 Ca 0.08 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 58.04 2cqx h LEU 39 Cb 0.68 -0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.26 2cqx h LEU 39 CO 0.05 0.01 0.04 0.11 -0.00 0.00 0.00 178.44 178.65 2cqx h LYS 40 N 0.02 0.16 0.34 1.13 1.79 -1.12 -0.22 116.57 118.67 2cqx h LYS 40 Ca 0.39 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.84 2cqx h LYS 40 Cb 1.54 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 2cqx h LYS 40 CO -0.01 0.11 -0.16 0.78 -1.08 0.00 0.00 179.45 179.08 2cqx h GLY 41 N 0.16 -0.48 -0.72 3.86 0.00 -1.31 -3.21 103.07 101.38 2cqx h GLY 41 Ca 0.24 0.18 0.28 0.00 0.00 0.00 0.00 47.33 48.03 2cqx h GLY 41 CO -0.36 -0.17 0.24 1.41 0.00 0.00 0.00 176.54 177.66 2cqx h LEU 42 N -0.57 -0.07 -1.00 3.11 3.38 -1.52 0.38 115.31 119.03 2cqx h LEU 42 Ca -0.05 0.24 0.39 0.00 0.09 0.00 0.00 57.88 58.55 2cqx h LEU 42 Cb 0.35 0.33 -0.18 0.00 0.09 0.00 0.00 40.66 41.26 2cqx h LEU 42 CO 0.08 -0.27 0.45 -1.28 0.09 0.00 0.00 178.44 177.51 2cqx h SER 43 N 0.11 0.19 0.09 -0.43 0.87 -1.03 0.13 113.55 113.48 2cqx h SER 43 Ca 0.63 0.26 -0.31 0.00 -1.23 0.00 0.00 61.79 61.14 2cqx h SER 43 Cb 1.39 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.63 2cqx h SER 43 CO -0.76 -0.41 -1.67 0.50 -0.53 0.00 0.00 176.83 173.97 2cqx h LYS 44 N 0.02 0.19 -0.58 2.24 3.11 -0.38 0.67 116.57 121.84 2cqx h LYS 44 Ca 0.80 -0.32 0.11 0.00 -2.81 0.00 0.00 60.65 58.43 2cqx h LYS 44 Cb 2.03 0.12 -0.11 0.00 -1.00 0.00 0.00 32.23 33.27 2cqx h LYS 44 CO -0.79 1.15 -0.27 0.37 -2.81 0.00 0.00 179.45 177.10 2cqx h GLN 45 N -0.32 -0.11 -0.56 1.90 4.15 0.06 -0.25 115.11 119.98 2cqx h GLN 45 Ca -0.38 0.01 -0.22 0.00 0.77 0.00 0.00 58.65 58.83 2cqx h GLN 45 Cb 1.77 0.03 -0.13 0.00 0.21 0.00 0.00 27.48 29.35 2cqx h GLN 45 CO -0.01 -0.08 0.17 1.28 -1.93 0.00 0.00 178.83 178.27 2cqx n LEU 46 N -5.44 5.11 -4.13 -2.39 4.77 0.18 -4.94 117.00 110.16 2cqx n LEU 46 Ca 0.05 -3.44 -0.33 0.00 -0.03 0.00 0.00 56.01 52.26 2cqx n LEU 46 Cb 0.35 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 2cqx n LEU 46 CO 0.03 0.98 -0.26 0.47 -1.33 0.00 0.00 177.39 177.28 2cqx n ASP 47 N -0.74 -0.55 -4.67 -1.43 8.00 -0.11 -4.89 116.55 112.15 2cqx n ASP 47 Ca 0.38 -1.10 -0.26 0.00 0.71 0.00 0.00 54.79 54.52 2cqx n ASP 47 Cb 1.22 -1.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 2cqx n ASP 47 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2cqx n TRP 48 N -3.83 -0.38 -4.42 1.24 7.02 0.23 -4.96 117.44 112.34 2cqx n TRP 48 Ca -0.06 -2.24 -0.33 0.00 -1.02 0.00 0.00 57.50 53.84 2cqx n TRP 48 Cb 0.49 -0.41 -0.10 0.00 -2.42 0.00 0.00 31.31 28.87 2cqx n TRP 48 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2cqx s SER 49 N -4.01 4.95 0.35 -0.99 0.01 -1.26 -4.44 113.70 108.31 2cqx s SER 49 Ca 0.25 0.01 0.17 0.00 1.31 0.00 0.00 55.95 57.69 2cqx s SER 49 Cb -0.02 -1.29 1.20 0.00 0.21 0.00 0.00 66.02 66.13 2cqx s SER 49 CO 0.16 0.33 1.63 1.62 0.41 0.00 0.00 173.24 177.38 2cqx h VAL 50 N 3.91 0.16 0.26 3.43 3.04 -1.93 0.13 116.25 125.25 2cqx h VAL 50 Ca -0.49 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 2cqx h VAL 50 Cb 1.18 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2cqx h VAL 50 CO 0.55 0.03 -0.13 0.03 -1.01 0.00 0.00 177.57 177.04 2cqx h ARG 51 N 0.18 -0.34 -0.54 4.17 2.47 -1.97 -2.80 114.38 115.55 2cqx h ARG 51 Ca 0.79 0.02 0.11 0.00 -1.26 0.00 0.00 59.98 59.64 2cqx h ARG 51 Cb 1.93 0.08 -0.11 0.00 -1.65 0.00 0.00 29.97 30.22 2cqx h ARG 51 CO -0.68 -0.02 -0.23 -0.22 0.56 0.00 0.00 179.97 179.38 2cqx h LYS 52 N -0.97 -0.10 0.37 0.04 3.64 -1.46 -2.23 116.57 115.87 2cqx h LYS 52 Ca -0.04 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2cqx h LYS 52 Cb 0.47 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2cqx h LYS 52 CO 0.06 -0.06 -0.49 0.82 -2.27 0.00 0.00 179.45 177.51 2cqx h ILE 53 N -0.10 0.00 -0.90 2.00 2.04 -0.94 -2.46 117.51 117.14 2cqx h ILE 53 Ca 0.25 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.30 2cqx h ILE 53 Cb 0.49 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.40 2cqx h ILE 53 CO -0.60 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 177.36 2cqx n GLN 54 N -5.34 -0.08 -0.24 2.37 6.02 -0.88 0.14 117.38 119.37 2cqx n GLN 54 Ca -0.10 1.40 0.04 0.00 -0.01 0.00 0.00 57.00 58.32 2cqx n GLN 54 Cb 0.42 -2.11 0.16 0.00 1.02 0.00 0.00 30.24 29.74 2cqx n GLN 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2cqx h TRP 56 N 0.46 0.64 -0.14 0.00 7.01 0.14 -1.99 115.95 122.07 2cqx h TRP 56 Ca 0.38 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.43 2cqx h TRP 56 Cb 0.54 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 2cqx h TRP 56 CO -0.16 0.30 0.02 0.74 -2.79 0.00 0.00 178.44 176.55 2cqx h PHE 57 N 0.64 0.04 -0.54 2.65 0.04 -0.80 -1.03 116.94 117.94 2cqx h PHE 57 Ca 0.30 0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.15 2cqx h PHE 57 Cb 0.21 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.30 2cqx h PHE 57 CO -0.09 0.01 0.19 0.00 -0.60 0.00 0.00 178.31 177.82 2cqx h ARG 58 N 0.08 0.36 -0.30 1.51 3.08 -0.92 -2.15 114.38 116.03 2cqx h ARG 58 Ca 0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2cqx h ARG 58 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2cqx h ARG 58 CO -0.09 0.24 0.17 1.25 -1.07 0.00 0.00 179.97 180.47 2cqx h HIS 59 N 0.37 0.40 -0.35 3.04 2.76 -1.01 -3.20 115.15 117.15 2cqx h HIS 59 Ca 0.27 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.47 2cqx h HIS 59 Cb 0.31 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 2cqx h HIS 59 CO -0.17 0.31 -0.25 -0.09 -1.30 0.00 0.00 177.93 176.43 2cqx h ARG 60 N 0.38 -0.05 -0.49 5.26 9.65 -0.52 -0.49 114.38 128.13 2cqx h ARG 60 Ca 0.11 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.03 2cqx h ARG 60 Cb 0.03 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.57 2cqx h ARG 60 CO -0.02 -0.03 -0.29 0.54 2.80 0.00 0.00 179.97 182.97 2cqx n ARG 61 N -3.93 -0.22 -0.31 0.20 1.74 -1.15 0.15 116.66 113.14 2cqx n ARG 61 Ca 0.00 1.00 0.09 0.00 -0.77 0.00 0.00 57.85 58.18 2cqx n ARG 61 Cb 0.12 -1.48 0.26 0.00 -1.02 0.00 0.00 32.46 30.34 2cqx n ARG 61 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2cqx h ASN 62 N 0.00 0.53 -0.59 0.55 2.35 -1.40 -0.23 115.58 116.79 2cqx h ASN 62 Ca 0.08 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2cqx h ASN 62 Cb 0.20 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2cqx h ASN 62 CO -0.46 0.19 0.28 -0.61 -1.65 0.00 0.00 177.43 175.17 2cqx h GLN 63 N 0.60 0.86 -0.95 0.81 5.75 0.29 -2.65 115.11 119.81 2cqx h GLN 63 Ca 0.50 -0.13 0.17 0.00 -0.15 0.00 0.00 58.65 59.05 2cqx h GLN 63 Cb 0.78 -0.15 -0.10 0.00 1.07 0.00 0.00 27.48 29.08 2cqx h GLN 63 CO -0.40 0.70 0.55 0.22 -2.65 0.00 0.00 178.83 177.25 2cqx h ASP 64 N 0.81 0.70 0.00 -0.69 1.82 0.15 -3.41 116.42 115.79 2cqx h ASP 64 Ca 0.20 0.10 -0.31 0.00 -0.39 0.00 0.00 57.03 56.63 2cqx h ASP 64 Cb 0.13 -0.03 -0.07 0.00 0.68 0.00 0.00 39.33 40.05 2cqx h ASP 64 CO -0.02 0.26 1.25 1.17 -1.61 0.00 0.00 179.24 180.28 2cqx n LYS 65 N -4.80 0.00 0.00 0.28 4.81 -1.00 -4.66 118.16 112.78 2cqx n LYS 65 Ca 0.21 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.71 2cqx n LYS 65 Cb 0.52 -0.90 0.33 0.00 0.02 0.00 0.00 35.03 35.00 2cqx n LYS 65 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2cqx n PRO 66 N 5.07 0.49 -1.07 1.64 -0.04 -1.26 -4.87 135.00 134.96 2cqx n PRO 66 Ca 0.45 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.45 2cqx n PRO 66 Cb 0.04 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 2cqx n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqx n SER 67 N -0.86 0.69 -3.08 3.54 2.88 -1.26 -4.87 113.62 110.66 2cqx n SER 67 Ca 0.08 0.66 -0.09 0.00 -1.33 0.00 0.00 58.87 58.19 2cqx n SER 67 Cb 0.04 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 62.82 2cqx n SER 67 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cqx s GLY 68 N 3.38 -0.65 -0.97 0.46 0.00 -1.26 -5.08 107.32 103.20 2cqx s GLY 68 Ca 0.82 -0.68 -0.24 0.00 0.00 0.00 0.00 44.72 44.62 2cqx s GLY 68 CO 0.53 3.25 1.94 2.56 0.00 0.00 0.00 173.10 181.39 2cqx s PRO 69 N 1.09 2.54 -0.27 2.90 0.04 -1.26 -4.92 135.00 135.12 2cqx s PRO 69 Ca 0.25 -0.49 -0.01 0.00 0.04 0.00 0.00 61.00 60.78 2cqx s PRO 69 Cb -0.03 -5.11 0.04 0.00 0.04 0.00 0.00 34.50 29.44 2cqx s PRO 69 CO -0.07 -3.52 -0.04 0.45 0.04 0.00 0.00 177.00 173.86 2cqx s SER 70 N 7.67 4.59 0.07 6.66 0.15 -1.26 -5.00 113.70 126.59 2cqx s SER 70 Ca 0.70 -1.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.03 2cqx s SER 70 Cb -0.05 -1.68 -0.12 0.00 -1.71 0.00 0.00 66.02 62.46 2cqx s SER 70 CO 0.02 -0.19 1.57 0.77 1.20 0.00 0.00 173.24 176.61 2cqx h SER 71 N 7.99 0.18 0.00 5.45 4.64 -2.09 -3.57 113.55 126.15 2cqx h SER 71 Ca -0.26 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2cqx h SER 71 Cb 1.08 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2cqx h SER 71 CO 0.55 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 177.46