#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqx h SER 2 N 0.00 0.00 -2.98 1.61 0.87 -2.10 -3.46 113.55 107.49 2cqx h SER 2 Ca 0.00 -0.67 -0.49 0.00 -1.23 0.00 0.00 61.79 59.41 2cqx h SER 2 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2cqx h SER 2 CO 0.00 0.87 -0.15 -0.44 -0.53 0.00 0.00 176.83 176.58 2cqx s SER 3 N -6.05 6.33 0.00 6.23 0.01 -1.26 -5.08 113.70 113.88 2cqx s SER 3 Ca -0.14 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2cqx s SER 3 Cb -0.02 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2cqx s SER 3 CO 0.48 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2cqx n GLY 4 N -1.62 3.89 1.50 3.44 0.00 -1.26 -5.10 105.19 106.04 2cqx n GLY 4 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2cqx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqx n SER 5 N 0.00 0.30 -4.62 1.61 2.88 -1.26 -5.02 113.62 107.51 2cqx n SER 5 Ca 0.00 0.20 -0.43 0.00 -1.33 0.00 0.00 58.87 57.31 2cqx n SER 5 Cb 0.00 0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 2cqx n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cqx s SER 6 N -5.32 6.14 0.01 -3.46 0.01 -1.26 -4.92 113.70 104.90 2cqx s SER 6 Ca 0.00 1.55 -0.32 0.00 1.31 0.00 0.00 55.95 58.49 2cqx s SER 6 Cb 0.00 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.60 2cqx s SER 6 CO 0.00 -1.46 1.90 0.61 0.41 0.00 0.00 173.24 174.69 2cqx n GLY 7 N 5.02 1.64 2.47 3.44 0.00 -1.26 -4.11 105.19 112.39 2cqx n GLY 7 Ca 0.21 0.81 -0.05 0.00 0.00 0.00 0.00 46.02 46.99 2cqx n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqx n GLY 8 N 4.38 -5.09 3.22 -0.02 0.00 -1.26 -5.06 105.19 101.37 2cqx n GLY 8 Ca 0.21 1.58 -0.20 0.00 0.00 0.00 0.00 46.02 47.61 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 -0.59 1.36 -0.09 -0.61 -4.36 -1.26 -5.15 121.20 110.50 2cqx s ILE 9 Ca -0.26 -1.46 -0.04 0.00 -0.26 0.00 0.00 60.65 58.63 2cqx s ILE 9 Cb 0.02 -1.32 0.05 0.00 1.25 0.00 0.00 42.46 42.45 2cqx s ILE 9 CO 0.70 -0.20 0.21 -0.54 0.24 0.00 0.00 174.94 175.35 2cqx s LYS 10 N -1.96 0.15 0.01 0.37 1.02 -1.26 -5.15 119.74 112.92 2cqx s LYS 10 Ca 0.03 0.51 0.01 0.00 0.02 0.00 0.00 55.97 56.54 2cqx s LYS 10 Cb -0.09 -0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.06 2cqx s LYS 10 CO 0.03 -0.19 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.72 2cqx s ASP 11 N 1.48 0.40 -0.03 2.83 1.01 -1.26 -5.16 116.67 115.94 2cqx s ASP 11 Ca -0.07 -0.28 -0.22 0.00 0.71 0.00 0.00 52.55 52.69 2cqx s ASP 11 Cb -0.11 0.02 0.04 0.00 1.01 0.00 0.00 42.92 43.88 2cqx s ASP 11 CO -0.07 -0.11 0.47 -0.44 0.21 0.00 0.00 175.17 175.22 2cqx s SER 12 N -0.79 -0.39 -0.16 0.27 0.01 -1.26 -5.13 113.70 106.26 2cqx s SER 12 Ca -0.06 0.35 -0.29 0.00 1.31 0.00 0.00 55.95 57.26 2cqx s SER 12 Cb -0.05 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.55 2cqx s SER 12 CO -0.00 -0.52 1.57 -2.16 0.41 0.00 0.00 173.24 172.54 2cqx s PRO 13 N -1.29 4.00 -0.04 12.44 0.04 -1.26 -4.93 135.00 143.96 2cqx s PRO 13 Ca -0.12 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.55 2cqx s PRO 13 Cb -0.03 -3.97 -0.14 0.00 0.04 0.00 0.00 34.50 30.40 2cqx s PRO 13 CO 0.07 -1.05 0.85 0.28 0.04 0.00 0.00 177.00 177.19 2cqx h VAL 14 N 5.84 0.58 -3.47 -0.36 2.07 -2.03 -3.46 116.25 115.43 2cqx h VAL 14 Ca -0.34 -0.91 -0.49 0.00 0.82 0.00 0.00 66.70 65.78 2cqx h VAL 14 Cb 1.15 0.96 0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2cqx h VAL 14 CO 0.98 0.14 0.08 0.20 0.02 0.00 0.00 177.57 178.99 2cqx s ASN 15 N -5.27 6.19 0.24 0.57 -0.87 -1.26 -4.99 114.94 109.55 2cqx s ASN 15 Ca -0.11 0.84 -0.23 0.00 -1.57 0.00 0.00 52.86 51.78 2cqx s ASN 15 Cb 0.01 -2.15 -0.15 0.00 -0.02 0.00 0.00 41.25 38.93 2cqx s ASN 15 CO 0.42 -0.60 0.34 0.29 -2.57 0.00 0.00 177.10 174.98 2cqx n LYS 16 N -2.24 0.00 0.07 -0.60 5.02 -1.26 -4.85 118.16 114.31 2cqx n LYS 16 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2cqx n LYS 16 Cb 0.55 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.60 2cqx n LYS 16 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2cqx h VAL 17 N 0.70 0.81 -2.57 -0.18 -1.51 -1.94 -3.47 116.25 108.10 2cqx h VAL 17 Ca -0.28 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.26 2cqx h VAL 17 Cb 1.30 0.81 -0.13 0.00 -2.13 0.00 0.00 31.29 31.14 2cqx h VAL 17 CO 0.48 0.00 0.38 -1.61 -1.23 0.00 0.00 177.57 175.60 2cqx s GLU 18 N -6.16 1.07 0.00 5.19 0.41 -1.26 -5.01 118.70 112.93 2cqx s GLU 18 Ca -0.14 -0.44 0.10 0.00 -0.41 0.00 0.00 54.97 54.08 2cqx s GLU 18 Cb 0.07 0.47 0.59 0.00 -1.78 0.00 0.00 34.13 33.47 2cqx s GLU 18 CO 0.66 -0.47 1.03 -0.35 -0.49 0.00 0.00 175.26 175.64 2cqx n PRO 19 N -0.33 0.49 -0.20 0.39 -0.04 -1.26 -3.31 135.00 130.75 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 -1.31 0.06 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.81 2.48 -0.38 3.54 5.03 -1.26 -4.39 115.26 119.47 2cqx n ASN 20 Ca 0.07 -2.24 0.29 0.00 0.87 0.00 0.00 54.58 53.58 2cqx n ASN 20 Cb 0.03 -0.55 0.57 0.00 -1.02 0.00 0.00 39.78 38.82 2cqx n ASN 20 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 2cqx h ASP 21 N 0.51 0.35 -1.58 6.41 2.03 -2.01 0.12 116.42 122.26 2cqx h ASP 21 Ca 0.06 0.11 0.51 0.00 -0.73 0.00 0.00 57.03 56.98 2cqx h ASP 21 Cb 1.05 0.07 -0.12 0.00 -0.83 0.00 0.00 39.33 39.50 2cqx h ASP 21 CO 0.15 -0.06 1.07 0.74 -1.03 0.00 0.00 179.24 180.11 2cqx h THR 22 N 0.24 0.02 -0.47 1.15 2.02 -1.93 1.40 112.91 115.34 2cqx h THR 22 Ca 0.71 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.80 2cqx h THR 22 Cb 2.01 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2cqx h THR 22 CO -0.37 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.42 2cqx h LEU 23 N 0.01 0.85 -1.70 2.58 4.07 -1.12 -2.88 115.31 117.11 2cqx h LEU 23 Ca 0.90 -0.32 0.48 0.00 0.08 0.00 0.00 57.88 59.02 2cqx h LEU 23 Cb 3.14 -0.23 -0.10 0.00 1.08 0.00 0.00 40.66 44.55 2cqx h LEU 23 CO -0.31 0.97 1.08 -0.08 -1.08 0.00 0.00 178.44 179.02 2cqx h GLU 24 N 0.71 0.04 0.03 1.13 4.81 0.18 0.24 114.58 121.72 2cqx h GLU 24 Ca 0.13 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2cqx h GLU 24 Cb 0.55 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2cqx h GLU 24 CO 0.03 0.02 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.10 2cqx h LYS 25 N 0.04 -0.04 -1.15 1.92 3.64 -1.57 -3.26 116.57 116.15 2cqx h LYS 25 Ca 0.84 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 60.57 2cqx h LYS 25 Cb 3.03 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 34.74 2cqx h LYS 25 CO -0.22 -0.03 0.73 -0.24 -2.27 0.00 0.00 179.45 177.42 2cqx h VAL 26 N -0.19 0.32 -0.58 2.00 3.04 -1.33 1.38 116.25 120.89 2cqx h VAL 26 Ca -0.00 -0.09 0.08 0.00 -1.01 0.00 0.00 66.70 65.68 2cqx h VAL 26 Cb 0.03 0.05 -0.06 0.00 -2.01 0.00 0.00 31.29 29.30 2cqx h VAL 26 CO 0.01 0.05 0.24 0.15 -1.01 0.00 0.00 177.57 177.00 2cqx h PHE 27 N 0.25 0.43 -0.31 3.17 3.04 -0.65 0.37 116.94 123.24 2cqx h PHE 27 Ca 0.71 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.69 2cqx h PHE 27 Cb 1.98 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 40.39 2cqx h PHE 27 CO -0.00 0.14 0.00 1.55 -2.02 0.00 0.00 178.31 177.98 2cqx n VAL 28 N -4.96 0.58 -0.12 1.41 3.14 0.11 -0.11 118.33 118.39 2cqx n VAL 28 Ca 0.07 -0.79 -0.23 0.00 -2.96 0.00 0.00 64.34 60.43 2cqx n VAL 28 Cb 0.23 0.86 -0.09 0.00 -1.06 0.00 0.00 33.84 33.78 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 0.98 1.77 -0.10 6.55 2.88 0.43 -4.83 113.62 121.31 2cqx n SER 29 Ca 0.14 0.20 -0.18 0.00 -1.33 0.00 0.00 58.87 57.70 2cqx n SER 29 Cb 0.47 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 63.23 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 -3.86 1.14 -3.64 2.46 0.24 0.12 -4.99 118.33 109.80 2cqx n VAL 30 Ca -0.44 -0.36 -0.05 0.00 -2.04 0.00 0.00 64.34 61.45 2cqx n VAL 30 Cb 0.84 -1.51 -0.06 0.00 -1.47 0.00 0.00 33.84 31.64 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 -2.39 0.00 0.12 3.34 -1.32 -0.49 -5.04 115.64 109.85 2cqx s THR 31 Ca -0.28 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.17 2cqx s THR 31 Cb 0.09 -1.00 -0.21 0.00 -1.51 0.00 0.00 72.50 69.87 2cqx s THR 31 CO 0.41 0.00 1.26 0.11 -2.21 0.00 0.00 174.62 174.19 2cqx h LYS 32 N 3.02 0.31 -3.35 7.08 1.57 -0.76 -3.32 116.57 121.13 2cqx h LYS 32 Ca -0.22 -0.40 -0.70 0.00 -1.87 0.00 0.00 60.65 57.46 2cqx h LYS 32 Cb 1.19 0.13 -0.36 0.00 0.08 0.00 0.00 32.23 33.27 2cqx h LYS 32 CO 0.19 1.12 -0.15 0.71 -0.57 0.00 0.00 179.45 180.74 2cqx s TYR 33 N -3.03 3.81 1.07 -1.35 1.51 -1.26 -4.93 117.35 113.15 2cqx s TYR 33 Ca -0.04 -2.98 -0.14 0.00 -1.01 0.00 0.00 57.07 52.89 2cqx s TYR 33 Cb 0.08 -3.22 0.22 0.00 -0.11 0.00 0.00 41.96 38.94 2cqx s TYR 33 CO 0.86 -0.75 1.10 -1.25 -1.11 0.00 0.00 175.55 174.40 2cqx s PRO 34 N -1.14 -0.12 0.15 -1.71 0.04 -1.26 -5.08 135.00 125.88 2cqx s PRO 34 Ca 0.26 0.33 0.07 0.00 0.04 0.00 0.00 61.00 61.70 2cqx s PRO 34 Cb -0.09 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 2cqx s PRO 34 CO -0.11 -3.06 -0.15 -0.51 0.04 0.00 0.00 177.00 173.21 2cqx s ASP 35 N -3.57 2.29 0.27 6.66 1.01 -1.26 -5.02 116.67 117.05 2cqx s ASP 35 Ca 0.67 -0.88 0.11 0.00 0.71 0.00 0.00 52.55 53.16 2cqx s ASP 35 Cb -0.16 -0.10 0.88 0.00 1.01 0.00 0.00 42.92 44.55 2cqx s ASP 35 CO 0.57 -0.13 1.22 1.21 0.21 0.00 0.00 175.17 178.24 2cqx n GLU 36 N 0.22 -0.05 -0.13 8.23 2.13 -1.26 0.54 120.64 130.32 2cqx n GLU 36 Ca -0.13 1.10 -0.10 0.00 0.66 0.00 0.00 57.16 58.69 2cqx n GLU 36 Cb 0.58 -1.89 -0.04 0.00 0.27 0.00 0.00 31.44 30.36 2cqx n GLU 36 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2cqx h LYS 37 N 0.00 -0.30 -0.39 5.31 1.57 -2.01 0.57 116.57 121.32 2cqx h LYS 37 Ca 0.59 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.33 2cqx h LYS 37 Cb 1.47 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.83 2cqx h LYS 37 CO -0.64 -0.20 -0.02 -0.09 -0.57 0.00 0.00 179.45 177.93 2cqx h ARG 38 N -0.31 0.63 -0.92 3.15 2.43 -0.31 -2.75 114.38 116.30 2cqx h ARG 38 Ca 0.14 -0.16 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2cqx h ARG 38 Cb 0.58 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.98 2cqx h ARG 38 CO -0.58 0.66 0.57 -0.07 -1.51 0.00 0.00 179.97 179.05 2cqx h LEU 39 N 0.60 0.89 -1.41 3.80 -0.00 -0.38 -1.15 115.31 117.66 2cqx h LEU 39 Ca 0.12 0.02 0.25 0.00 -0.00 0.00 0.00 57.88 58.28 2cqx h LEU 39 Cb 0.40 -0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 40.81 2cqx h LEU 39 CO 0.02 0.55 0.66 0.11 -0.00 0.00 0.00 178.44 179.78 2cqx h LYS 40 N 1.01 0.38 0.24 1.13 1.57 -0.77 0.18 116.57 120.32 2cqx h LYS 40 Ca 0.41 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2cqx h LYS 40 Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2cqx h LYS 40 CO -0.19 0.25 -0.12 0.78 -0.57 0.00 0.00 179.45 179.60 2cqx h GLY 41 N 0.39 -0.34 0.75 3.86 0.00 -1.33 -3.31 103.07 103.09 2cqx h GLY 41 Ca 0.56 0.13 0.03 0.00 0.00 0.00 0.00 47.33 48.05 2cqx h GLY 41 CO -0.26 -0.12 0.10 1.41 0.00 0.00 0.00 176.54 177.67 2cqx h LEU 42 N -0.89 0.11 -0.80 3.11 3.38 -1.26 -1.80 115.31 117.16 2cqx h LEU 42 Ca -0.03 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.14 2cqx h LEU 42 Cb 0.51 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 2cqx h LEU 42 CO 0.06 0.10 -0.14 -1.20 0.09 0.00 0.00 178.44 177.34 2cqx n SER 43 N -5.03 -0.23 0.10 -0.43 7.64 0.58 0.15 113.62 116.40 2cqx n SER 43 Ca -0.00 1.36 -0.16 0.00 1.01 0.00 0.00 58.87 61.08 2cqx n SER 43 Cb 0.10 -0.44 -0.12 0.00 -1.01 0.00 0.00 64.21 62.75 2cqx n SER 43 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2cqx h LYS 44 N 0.00 0.33 0.68 1.43 1.79 -1.56 1.22 116.57 120.45 2cqx h LYS 44 Ca 0.41 -0.50 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2cqx h LYS 44 Cb 0.69 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 2cqx h LYS 44 CO -0.80 1.21 -0.49 0.37 -1.08 0.00 0.00 179.45 178.67 2cqx h GLN 45 N 0.12 -1.08 -0.90 3.15 4.15 0.23 -2.71 115.11 118.07 2cqx h GLN 45 Ca -0.13 0.07 -0.29 0.00 0.77 0.00 0.00 58.65 59.07 2cqx h GLN 45 Cb 1.89 0.24 -0.18 0.00 0.21 0.00 0.00 27.48 29.65 2cqx h GLN 45 CO 0.20 -0.72 0.37 1.28 -1.93 0.00 0.00 178.83 178.04 2cqx n LEU 46 N -5.60 5.68 -3.84 -2.39 4.77 0.73 -4.89 117.00 111.46 2cqx n LEU 46 Ca -0.14 -2.99 -0.29 0.00 -0.03 0.00 0.00 56.01 52.57 2cqx n LEU 46 Cb 0.48 -0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 2cqx n LEU 46 CO 0.32 0.83 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.44 2cqx n ASP 47 N -0.43 -1.82 -3.55 -1.43 2.03 -0.81 -4.89 116.55 105.64 2cqx n ASP 47 Ca 0.41 -0.66 -0.13 0.00 0.52 0.00 0.00 54.79 54.93 2cqx n ASP 47 Cb 1.33 -1.61 0.02 0.00 -0.72 0.00 0.00 41.12 40.13 2cqx n ASP 47 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2cqx n TRP 48 N -3.62 -1.66 -4.27 -0.67 7.02 0.41 -4.96 117.44 109.70 2cqx n TRP 48 Ca 0.07 -1.21 -0.33 0.00 -1.02 0.00 0.00 57.50 55.01 2cqx n TRP 48 Cb 0.47 -0.26 -0.09 0.00 -2.42 0.00 0.00 31.31 29.01 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 -2.82 5.20 0.47 -0.99 0.01 -1.26 -4.33 113.70 109.98 2cqx s SER 49 Ca 0.23 0.03 0.28 0.00 1.31 0.00 0.00 55.95 57.80 2cqx s SER 49 Cb -0.02 -1.39 1.35 0.00 0.21 0.00 0.00 66.02 66.17 2cqx s SER 49 CO 0.15 0.29 1.78 1.62 0.41 0.00 0.00 173.24 177.49 2cqx h VAL 50 N 3.56 0.44 0.06 3.43 3.04 -1.92 0.61 116.25 125.47 2cqx h VAL 50 Ca -0.49 -0.06 -0.15 0.00 -1.01 0.00 0.00 66.70 64.99 2cqx h VAL 50 Cb 1.18 0.25 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2cqx h VAL 50 CO 0.58 0.03 -0.72 0.03 -1.01 0.00 0.00 177.57 176.47 2cqx h ARG 51 N 0.18 0.13 -0.55 4.17 3.08 -1.96 -3.19 114.38 116.23 2cqx h ARG 51 Ca 0.59 -0.22 0.10 0.00 0.07 0.00 0.00 59.98 60.52 2cqx h ARG 51 Cb 1.95 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 32.00 2cqx h ARG 51 CO -0.16 1.11 0.11 -0.22 -1.07 0.00 0.00 179.97 179.74 2cqx h LYS 52 N -0.69 0.24 0.70 0.04 3.64 -1.50 -2.63 116.57 116.36 2cqx h LYS 52 Ca -0.16 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2cqx h LYS 52 Cb 1.38 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2cqx h LYS 52 CO 0.02 0.16 -0.40 0.82 -2.27 0.00 0.00 179.45 177.78 2cqx h ILE 53 N 0.25 0.19 -0.88 2.00 2.04 -1.10 -2.87 117.51 117.14 2cqx h ILE 53 Ca 0.28 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.33 2cqx h ILE 53 Cb 0.39 0.19 -0.17 0.00 -0.74 0.00 0.00 36.82 36.50 2cqx h ILE 53 CO -0.36 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 177.63 2cqx n GLN 54 N -5.54 -0.08 -0.18 2.37 6.02 -1.02 0.12 117.38 119.07 2cqx n GLN 54 Ca -0.14 1.36 -0.01 0.00 -0.01 0.00 0.00 57.00 58.20 2cqx n GLN 54 Cb 0.43 -2.06 0.08 0.00 1.02 0.00 0.00 30.24 29.71 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 0.20 -0.63 -0.27 0.00 7.01 0.94 -1.24 115.95 121.96 2cqx h TRP 56 Ca 0.28 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.36 2cqx h TRP 56 Cb 0.42 0.28 -0.08 0.00 -2.10 0.00 0.00 29.16 27.68 2cqx h TRP 56 CO -0.27 -0.32 -0.44 0.74 -2.79 0.00 0.00 178.44 175.36 2cqx h PHE 57 N -0.35 -1.28 -0.37 2.65 -1.00 -1.00 0.32 116.94 115.90 2cqx h PHE 57 Ca 0.07 0.06 0.11 0.00 2.81 0.00 0.00 57.97 61.02 2cqx h PHE 57 Cb 0.45 0.60 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 2cqx h PHE 57 CO -0.29 -0.47 0.29 0.00 -1.61 0.00 0.00 178.31 176.24 2cqx h ARG 58 N -0.42 0.00 0.13 1.51 3.08 -1.15 -2.80 114.38 114.73 2cqx h ARG 58 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2cqx h ARG 58 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2cqx h ARG 58 CO -0.49 0.00 -0.06 1.25 -1.07 0.00 0.00 179.97 179.60 2cqx h HIS 59 N 0.00 -0.16 -0.77 3.04 2.76 0.73 -3.34 115.15 117.41 2cqx h HIS 59 Ca 0.18 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.49 2cqx h HIS 59 Cb 0.76 0.05 -0.14 0.00 1.55 0.00 0.00 27.41 29.63 2cqx h HIS 59 CO 0.00 -0.10 -0.23 -2.13 -1.30 0.00 0.00 177.93 174.18 2cqx n ARG 60 N -3.24 -0.10 -0.30 5.26 3.00 0.34 0.14 116.66 121.76 2cqx n ARG 60 Ca -0.02 1.20 -0.02 0.00 -0.00 0.00 0.00 57.85 59.01 2cqx n ARG 60 Cb 0.07 -1.79 0.02 0.00 0.00 0.00 0.00 32.46 30.76 2cqx n ARG 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2cqx n ARG 61 N -5.22 -0.20 0.13 -0.14 1.74 -1.07 0.36 116.66 112.26 2cqx n ARG 61 Ca 0.11 1.18 -0.13 0.00 -0.77 0.00 0.00 57.85 58.24 2cqx n ARG 61 Cb 0.36 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 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 -0.69 -0.66 0.55 2.35 -0.45 -2.33 115.58 114.35 2cqx h ASN 62 Ca 0.25 0.07 0.14 0.00 -0.55 0.00 0.00 56.30 56.21 2cqx h ASN 62 Cb 0.44 0.25 -0.10 0.00 0.05 0.00 0.00 38.32 38.96 2cqx h ASN 62 CO -0.76 -0.34 0.09 -0.61 -1.65 0.00 0.00 177.43 174.16 2cqx h GLN 63 N -0.48 0.19 -0.01 0.81 5.75 -0.06 -1.76 115.11 119.56 2cqx h GLN 63 Ca 0.02 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 2cqx h GLN 63 Cb 0.48 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 2cqx h GLN 63 CO -0.11 0.13 -0.30 0.22 -2.65 0.00 0.00 178.83 176.11 2cqx h ASP 64 N 0.20 -0.90 -4.06 -0.69 1.82 -0.47 -3.42 116.42 108.90 2cqx h ASP 64 Ca 0.36 0.12 -0.49 0.00 -0.39 0.00 0.00 57.03 56.62 2cqx h ASP 64 Cb 0.58 0.36 0.06 0.00 0.68 0.00 0.00 39.33 41.01 2cqx h ASP 64 CO -0.50 -0.36 0.43 -0.54 -1.61 0.00 0.00 179.24 176.66 2cqx s LYS 65 N -6.02 3.60 -0.57 0.28 -0.14 -0.66 -4.93 119.74 111.29 2cqx s LYS 65 Ca -0.15 1.59 -0.27 0.00 -1.36 0.00 0.00 55.97 55.78 2cqx s LYS 65 Cb 0.09 -2.15 -0.02 0.00 -1.68 0.00 0.00 37.83 34.07 2cqx s LYS 65 CO 0.65 -0.65 1.83 -1.25 -0.76 0.00 0.00 175.35 175.18 2cqx s PRO 66 N -3.09 2.76 -0.06 -1.68 0.04 -1.26 -4.89 135.00 126.82 2cqx s PRO 66 Ca 0.69 0.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 2cqx s PRO 66 Cb -0.23 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 29.92 2cqx s PRO 66 CO 0.27 -2.57 0.13 -1.12 0.04 0.00 0.00 177.00 173.75 2cqx s SER 67 N 7.66 6.14 0.00 6.66 0.01 -1.26 -4.96 113.70 127.95 2cqx s SER 67 Ca 0.69 0.34 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2cqx s SER 67 Cb -0.14 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2cqx s SER 67 CO 0.23 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.82 2cqx n GLY 68 N 1.52 1.75 0.24 3.44 0.00 -1.26 -4.99 105.19 105.88 2cqx n GLY 68 Ca -0.16 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 2cqx n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqx h PRO 69 N 0.00 0.81 -4.29 1.61 0.13 -2.01 -3.39 132.00 124.86 2cqx h PRO 69 Ca 0.00 -0.42 -0.65 0.00 -0.87 0.00 0.00 66.00 64.05 2cqx h PRO 69 Cb 0.00 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 30.74 2cqx h PRO 69 CO 0.00 1.06 -0.69 -1.54 -0.23 0.00 0.00 178.00 176.59 2cqx s SER 70 N -6.67 4.62 0.09 1.44 1.04 -1.26 -5.10 113.70 107.86 2cqx s SER 70 Ca -0.12 -2.40 0.02 0.00 0.48 0.00 0.00 55.95 53.92 2cqx s SER 70 Cb 0.10 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 2cqx s SER 70 CO 0.85 -0.34 0.18 -0.44 0.98 0.00 0.00 173.24 174.48 2cqx s SER 71 N 0.56 6.06 0.00 7.02 0.01 -1.26 -5.12 113.70 120.97 2cqx s SER 71 Ca 0.13 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2cqx s SER 71 Cb -0.21 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2cqx s SER 71 CO -0.06 0.14 0.27 0.61 0.41 0.00 0.00 173.24 174.61