#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqx s SER 2 N 0.00 -0.01 0.11 1.61 0.15 -1.26 -5.20 113.70 109.11 2cqx s SER 2 Ca 0.00 -0.31 -0.26 0.00 0.70 0.00 0.00 55.95 56.08 2cqx s SER 2 Cb 0.00 0.24 0.08 0.00 -1.71 0.00 0.00 66.02 64.64 2cqx s SER 2 CO 0.00 -0.48 1.10 -0.94 1.20 0.00 0.00 173.24 174.12 2cqx s SER 3 N -3.56 -0.07 0.00 5.45 1.04 -1.26 -5.19 113.70 110.11 2cqx s SER 3 Ca 0.25 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2cqx s SER 3 Cb -0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2cqx s SER 3 CO 0.00 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2cqx n GLY 4 N -0.60 4.45 3.28 7.32 0.00 -1.26 -5.19 105.19 113.19 2cqx n GLY 4 Ca -0.05 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 2cqx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqx s SER 5 N 1.23 -0.22 0.09 1.61 0.01 -1.26 -5.18 113.70 109.99 2cqx s SER 5 Ca 0.00 0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.20 2cqx s SER 5 Cb 0.00 0.36 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 2cqx s SER 5 CO 0.00 -0.55 0.18 -0.44 0.41 0.00 0.00 173.24 172.84 2cqx s SER 6 N -1.68 0.14 0.00 2.44 0.01 -1.26 -5.17 113.70 108.18 2cqx s SER 6 Ca -0.09 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2cqx s SER 6 Cb -0.03 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2cqx s SER 6 CO 0.01 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2cqx n GLY 7 N -0.07 5.43 0.00 3.44 0.00 -1.26 -5.11 105.19 107.63 2cqx n GLY 7 Ca -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 0.45 3.72 -0.02 0.00 -1.26 -5.10 105.19 102.98 2cqx n GLY 8 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2cqx n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cqx s ILE 9 N 0.00 3.46 0.29 -0.61 1.09 -1.26 -5.02 121.20 119.15 2cqx s ILE 9 Ca 0.00 1.05 0.03 0.00 -1.10 0.00 0.00 60.65 60.63 2cqx s ILE 9 Cb 0.00 -3.67 -0.06 0.00 -1.06 0.00 0.00 42.46 37.67 2cqx s ILE 9 CO 0.00 0.09 0.07 -0.54 -0.10 0.00 0.00 174.94 174.46 2cqx s LYS 10 N 1.03 1.53 0.88 2.79 -0.14 -1.26 -5.15 119.74 119.43 2cqx s LYS 10 Ca 0.63 -1.84 -0.12 0.00 -1.36 0.00 0.00 55.97 53.28 2cqx s LYS 10 Cb -0.35 -0.58 0.12 0.00 -1.68 0.00 0.00 37.83 35.34 2cqx s LYS 10 CO 0.30 -0.23 1.10 -0.51 -0.76 0.00 0.00 175.35 175.25 2cqx s ASP 11 N -3.40 3.65 0.02 2.83 1.11 -1.26 -5.08 116.67 114.54 2cqx s ASP 11 Ca 0.37 1.34 0.01 0.00 0.18 0.00 0.00 52.55 54.45 2cqx s ASP 11 Cb 0.08 -2.03 -0.02 0.00 1.07 0.00 0.00 42.92 42.03 2cqx s ASP 11 CO 0.14 -2.51 -0.04 -0.44 1.18 0.00 0.00 175.17 173.51 2cqx s SER 12 N -3.62 0.43 -0.04 0.27 0.01 -1.26 -5.13 113.70 104.37 2cqx s SER 12 Ca 0.63 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 57.18 2cqx s SER 12 Cb -0.17 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 2cqx s SER 12 CO 0.56 -0.20 1.48 -2.16 0.41 0.00 0.00 173.24 173.33 2cqx s PRO 13 N -1.19 4.24 -0.09 12.44 0.04 -1.26 -4.95 135.00 144.23 2cqx s PRO 13 Ca -0.10 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 2cqx s PRO 13 Cb -0.08 -3.73 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 2cqx s PRO 13 CO -0.00 -0.69 -0.08 0.28 0.04 0.00 0.00 177.00 176.55 2cqx h VAL 14 N 5.20 0.00 -3.88 -0.36 2.07 -2.01 -3.47 116.25 113.80 2cqx h VAL 14 Ca -0.37 -0.71 -0.52 0.00 0.82 0.00 0.00 66.70 65.92 2cqx h VAL 14 Cb 1.17 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2cqx h VAL 14 CO 0.93 0.00 0.57 0.54 0.02 0.00 0.00 177.57 179.63 2cqx s ASN 15 N -4.98 6.78 -0.02 0.57 4.22 -1.26 -5.01 114.94 115.25 2cqx s ASN 15 Ca -0.06 2.51 -0.19 0.00 -2.14 0.00 0.00 52.86 52.98 2cqx s ASN 15 Cb 0.01 -2.64 -0.05 0.00 1.28 0.00 0.00 41.25 39.85 2cqx s ASN 15 CO 0.09 -0.51 0.52 -0.54 -2.04 0.00 0.00 177.10 174.63 2cqx s LYS 16 N -1.87 4.22 0.16 3.55 -0.14 -1.26 -4.99 119.74 119.41 2cqx s LYS 16 Ca 0.50 0.60 -0.19 0.00 -1.36 0.00 0.00 55.97 55.53 2cqx s LYS 16 Cb -0.36 -3.32 0.07 0.00 -1.68 0.00 0.00 37.83 32.55 2cqx s LYS 16 CO 0.47 0.43 1.66 -0.39 -0.76 0.00 0.00 175.35 176.76 2cqx h VAL 17 N 4.08 0.53 -2.73 3.17 -1.51 -2.00 -3.45 116.25 114.33 2cqx h VAL 17 Ca -0.46 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.05 2cqx h VAL 17 Cb 1.20 0.53 -0.12 0.00 -2.13 0.00 0.00 31.29 30.77 2cqx h VAL 17 CO 0.68 0.00 0.32 -1.61 -1.23 0.00 0.00 177.57 175.73 2cqx s GLU 18 N -6.18 1.18 0.00 5.19 0.41 -1.26 -5.01 118.70 113.03 2cqx s GLU 18 Ca -0.14 -0.48 0.11 0.00 -0.41 0.00 0.00 54.97 54.05 2cqx s GLU 18 Cb 0.14 0.51 0.63 0.00 -1.78 0.00 0.00 34.13 33.64 2cqx s GLU 18 CO 0.70 -0.52 1.07 -0.35 -0.49 0.00 0.00 175.26 175.67 2cqx n PRO 19 N -0.35 0.49 -0.21 0.39 -0.04 -1.26 -3.27 135.00 130.76 2cqx n PRO 19 Ca -0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 2cqx n PRO 19 Cb 0.63 -1.34 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 -0.84 2.43 -0.42 3.54 5.03 -1.26 -4.42 115.26 119.33 2cqx n ASN 20 Ca 0.08 -2.24 0.34 0.00 0.87 0.00 0.00 54.58 53.63 2cqx n ASN 20 Cb 0.04 -0.55 0.62 0.00 -1.02 0.00 0.00 39.78 38.87 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 0.56 0.28 -1.26 6.41 3.58 -2.01 0.17 116.42 124.16 2cqx h ASP 21 Ca 0.05 0.14 0.37 0.00 0.42 0.00 0.00 57.03 58.01 2cqx h ASP 21 Cb 1.03 0.13 -0.05 0.00 1.72 0.00 0.00 39.33 42.15 2cqx h ASP 21 CO 0.15 -0.17 1.18 0.41 -2.88 0.00 0.00 179.24 177.93 2cqx n THR 22 N -4.75 0.00 -0.04 2.25 -1.04 -1.26 0.15 114.28 109.59 2cqx n THR 22 Ca 0.36 1.22 -0.14 0.00 -2.04 0.00 0.00 64.05 63.45 2cqx n THR 22 Cb 1.34 -2.13 -0.12 0.00 -1.82 0.00 0.00 70.33 67.61 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 0.05 -1.30 -4.42 4.07 -1.04 -3.26 115.31 109.42 2cqx h LEU 23 Ca 0.60 -0.79 0.42 0.00 0.08 0.00 0.00 57.88 58.20 2cqx h LEU 23 Cb 2.96 -0.01 -0.10 0.00 1.08 0.00 0.00 40.66 44.58 2cqx h LEU 23 CO -0.01 0.83 0.87 1.21 -1.08 0.00 0.00 178.44 180.26 2cqx n GLU 24 N -4.67 -0.02 0.03 1.13 4.07 0.40 -0.64 120.64 120.94 2cqx n GLU 24 Ca -0.09 1.00 -0.01 0.00 -0.06 0.00 0.00 57.16 58.00 2cqx n GLU 24 Cb 0.41 -2.07 -0.01 0.00 -0.06 0.00 0.00 31.44 29.72 2cqx n GLU 24 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2cqx h LYS 25 N 0.00 -0.08 -1.15 5.31 1.57 -1.59 -3.28 116.57 117.34 2cqx h LYS 25 Ca 0.75 0.01 0.36 0.00 -1.87 0.00 0.00 60.65 59.89 2cqx h LYS 25 Cb 2.60 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 34.80 2cqx h LYS 25 CO -0.28 -0.05 0.72 -0.24 -0.57 0.00 0.00 179.45 179.02 2cqx h VAL 26 N -0.22 0.27 -0.64 0.50 3.04 -1.01 0.81 116.25 118.99 2cqx h VAL 26 Ca -0.01 -0.08 0.12 0.00 -1.01 0.00 0.00 66.70 65.73 2cqx h VAL 26 Cb 0.07 0.02 -0.09 0.00 -2.01 0.00 0.00 31.29 29.28 2cqx h VAL 26 CO 0.01 0.04 0.16 0.15 -1.01 0.00 0.00 177.57 176.93 2cqx h PHE 27 N 0.23 0.26 -0.34 3.17 3.04 -0.95 0.37 116.94 122.71 2cqx h PHE 27 Ca 0.74 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.73 2cqx h PHE 27 Cb 2.04 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.53 2cqx h PHE 27 CO -0.01 -0.02 0.00 1.55 -2.02 0.00 0.00 178.31 177.81 2cqx n VAL 28 N -5.11 0.67 -0.12 1.41 3.14 0.11 -0.04 118.33 118.38 2cqx n VAL 28 Ca 0.10 -0.84 -0.25 0.00 -2.96 0.00 0.00 64.34 60.39 2cqx n VAL 28 Cb 0.35 0.77 -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 1.81 -0.07 6.55 2.88 0.24 -4.84 113.62 121.12 2cqx n SER 29 Ca 0.14 0.24 -0.13 0.00 -1.33 0.00 0.00 58.87 57.79 2cqx n SER 29 Cb 0.47 -0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 63.19 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 -3.98 0.83 -3.64 2.46 0.24 0.12 -5.00 118.33 109.36 2cqx n VAL 30 Ca -0.48 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 61.51 2cqx n VAL 30 Cb 0.86 -1.38 -0.06 0.00 -1.47 0.00 0.00 33.84 31.79 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 -2.28 0.00 0.15 3.34 -1.32 -0.47 -5.02 115.64 110.04 2cqx s THR 31 Ca -0.20 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.47 2cqx s THR 31 Cb 0.07 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.21 2cqx s THR 31 CO 0.30 0.00 1.75 0.07 -2.21 0.00 0.00 174.62 174.53 2cqx h LYS 32 N 3.10 0.00 -2.78 7.08 2.10 -0.70 -3.30 116.57 122.07 2cqx h LYS 32 Ca -0.23 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.82 2cqx h LYS 32 Cb 1.19 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.12 2cqx h LYS 32 CO 0.19 0.34 -0.76 0.71 -2.00 0.00 0.00 179.45 177.93 2cqx s TYR 33 N -3.61 2.36 1.19 0.07 1.51 -1.26 -4.90 117.35 112.70 2cqx s TYR 33 Ca 0.00 -2.81 -0.19 0.00 -1.01 0.00 0.00 57.07 53.07 2cqx s TYR 33 Cb 0.11 -1.88 0.28 0.00 -0.11 0.00 0.00 41.96 40.36 2cqx s TYR 33 CO 0.68 -0.69 1.11 -1.25 -1.11 0.00 0.00 175.55 174.28 2cqx s PRO 34 N -0.60 -1.09 0.29 -1.71 0.04 -1.26 -5.09 135.00 125.59 2cqx s PRO 34 Ca 0.27 -0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.36 2cqx s PRO 34 Cb -0.04 -1.61 -0.06 0.00 0.04 0.00 0.00 34.50 32.83 2cqx s PRO 34 CO -0.16 -3.63 -0.06 -0.51 0.04 0.00 0.00 177.00 172.68 2cqx s ASP 35 N -3.85 2.92 0.19 6.66 1.01 -1.26 -5.02 116.67 117.32 2cqx s ASP 35 Ca 0.70 -1.19 -0.12 0.00 0.71 0.00 0.00 52.55 52.65 2cqx s ASP 35 Cb -0.11 -0.20 0.23 0.00 1.01 0.00 0.00 42.92 43.85 2cqx s ASP 35 CO 0.56 -0.32 1.19 1.21 0.21 0.00 0.00 175.17 178.02 2cqx n GLU 36 N -0.62 -0.15 -0.25 8.23 2.13 -1.26 0.80 120.64 129.52 2cqx n GLU 36 Ca -0.05 1.19 0.11 0.00 0.66 0.00 0.00 57.16 59.07 2cqx n GLU 36 Cb 0.63 -1.76 0.22 0.00 0.27 0.00 0.00 31.44 30.80 2cqx n GLU 36 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2cqx n LYS 37 N -5.16 -0.06 -0.03 5.31 2.85 -1.26 0.11 118.16 119.92 2cqx n LYS 37 Ca 0.09 1.07 -0.15 0.00 -1.05 0.00 0.00 58.31 58.26 2cqx n LYS 37 Cb 0.33 -1.71 -0.11 0.00 -0.65 0.00 0.00 35.03 32.89 2cqx n LYS 37 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2cqx h ARG 38 N 0.00 0.19 -0.90 -1.58 2.43 -0.01 -3.23 114.38 111.29 2cqx h ARG 38 Ca 0.45 -0.19 0.24 0.00 -0.81 0.00 0.00 59.98 59.66 2cqx h ARG 38 Cb 0.94 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 2cqx h ARG 38 CO -0.67 0.91 0.62 -0.07 -1.51 0.00 0.00 179.97 179.26 2cqx h LEU 39 N -0.44 0.17 -0.70 3.80 -0.00 0.10 -0.63 115.31 117.60 2cqx h LEU 39 Ca -0.03 0.02 0.15 0.00 -0.00 0.00 0.00 57.88 58.02 2cqx h LEU 39 Cb 0.99 -0.01 -0.11 0.00 -0.00 0.00 0.00 40.66 41.53 2cqx h LEU 39 CO 0.05 0.06 0.13 0.11 -0.00 0.00 0.00 178.44 178.79 2cqx h LYS 40 N 0.16 0.22 0.22 1.13 1.79 -0.68 0.66 116.57 120.07 2cqx h LYS 40 Ca 0.45 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.89 2cqx h LYS 40 Cb 1.49 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 2cqx h LYS 40 CO -0.08 0.15 -0.11 0.78 -1.08 0.00 0.00 179.45 179.11 2cqx h GLY 41 N 0.23 -0.31 -0.83 3.86 0.00 -1.28 -3.27 103.07 101.47 2cqx h GLY 41 Ca 0.39 0.11 0.33 0.00 0.00 0.00 0.00 47.33 48.17 2cqx h GLY 41 CO -0.52 -0.11 0.35 1.41 0.00 0.00 0.00 176.54 177.68 2cqx h LEU 42 N -0.47 0.08 -0.96 3.11 3.38 -1.51 0.32 115.31 119.25 2cqx h LEU 42 Ca -0.03 0.24 0.32 0.00 0.09 0.00 0.00 57.88 58.50 2cqx h LEU 42 Cb 0.23 0.31 -0.18 0.00 0.09 0.00 0.00 40.66 41.11 2cqx h LEU 42 CO 0.05 -0.32 0.22 -0.24 0.09 0.00 0.00 178.44 178.23 2cqx n SER 43 N -5.28 0.06 -0.06 -0.43 2.88 0.21 -0.31 113.62 110.69 2cqx n SER 43 Ca 0.30 1.62 -0.21 0.00 -1.33 0.00 0.00 58.87 59.25 2cqx n SER 43 Cb 1.00 -0.67 -0.12 0.00 -0.75 0.00 0.00 64.21 63.67 2cqx n SER 43 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2cqx h LYS 44 N 0.00 0.10 -0.57 -1.46 3.64 -0.53 0.57 116.57 118.31 2cqx h LYS 44 Ca 0.67 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.98 2cqx h LYS 44 Cb 1.58 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 33.35 2cqx h LYS 44 CO -0.84 1.08 -0.42 0.37 -2.27 0.00 0.00 179.45 177.37 2cqx h GLN 45 N -0.66 -0.22 -0.65 1.90 4.15 -0.36 0.11 115.11 119.38 2cqx h GLN 45 Ca -0.34 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.00 2cqx h GLN 45 Cb 1.52 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 29.20 2cqx h GLN 45 CO -0.09 -0.14 0.12 1.28 -1.93 0.00 0.00 178.83 178.06 2cqx n LEU 46 N -5.41 5.93 -4.17 -2.39 4.77 0.57 -4.92 117.00 111.38 2cqx n LEU 46 Ca 0.02 -3.06 -0.35 0.00 -0.03 0.00 0.00 56.01 52.58 2cqx n LEU 46 Cb 0.35 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2cqx n LEU 46 CO -0.01 0.71 -0.11 0.47 -1.33 0.00 0.00 177.39 177.11 2cqx n ASP 47 N 0.29 -2.01 -4.52 -1.43 8.00 0.38 -4.90 116.55 112.36 2cqx n ASP 47 Ca 0.34 -0.94 -0.22 0.00 0.71 0.00 0.00 54.79 54.68 2cqx n ASP 47 Cb 1.29 -1.74 0.01 0.00 -0.02 0.00 0.00 41.12 40.66 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 -3.89 -1.01 -4.71 1.24 7.02 0.20 -4.95 117.44 111.34 2cqx n TRP 48 Ca 0.09 -2.02 -0.33 0.00 -1.02 0.00 0.00 57.50 54.22 2cqx n TRP 48 Cb 0.47 -0.41 -0.12 0.00 -2.42 0.00 0.00 31.31 28.82 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 -3.91 4.44 0.32 -0.99 0.01 -1.26 -4.33 113.70 107.99 2cqx s SER 49 Ca 0.32 -0.08 0.11 0.00 1.31 0.00 0.00 55.95 57.61 2cqx s SER 49 Cb -0.03 -1.08 1.00 0.00 0.21 0.00 0.00 66.02 66.13 2cqx s SER 49 CO 0.21 0.35 1.50 0.55 0.41 0.00 0.00 173.24 176.25 2cqx n VAL 50 N 2.28 -0.40 0.14 3.43 3.14 -1.26 -0.40 118.33 125.26 2cqx n VAL 50 Ca -0.18 2.01 -0.10 0.00 -2.96 0.00 0.00 64.34 63.11 2cqx n VAL 50 Cb 0.53 -3.10 -0.06 0.00 -1.06 0.00 0.00 33.84 30.15 2cqx n VAL 50 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2cqx h ARG 51 N 0.00 -0.41 -0.78 1.45 2.43 -1.97 -2.65 114.38 112.45 2cqx h ARG 51 Ca 0.69 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 60.07 2cqx h ARG 51 Cb 1.65 0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 31.16 2cqx h ARG 51 CO -0.81 -0.11 0.04 -0.22 -1.51 0.00 0.00 179.97 177.36 2cqx h LYS 52 N -0.99 0.12 0.69 0.20 3.64 -1.26 -1.47 116.57 117.50 2cqx h LYS 52 Ca -0.04 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2cqx h LYS 52 Cb 0.49 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2cqx h LYS 52 CO 0.07 0.08 -0.37 0.82 -2.27 0.00 0.00 179.45 177.78 2cqx h ILE 53 N 0.12 0.25 -0.74 2.00 2.04 -0.79 -3.04 117.51 117.35 2cqx h ILE 53 Ca 0.44 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.40 2cqx h ILE 53 Cb 0.79 0.25 -0.11 0.00 -0.74 0.00 0.00 36.82 37.01 2cqx h ILE 53 CO -0.67 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.17 2cqx n GLN 54 N -5.52 -0.20 -0.27 2.37 6.02 -0.57 0.17 117.38 119.38 2cqx n GLN 54 Ca -0.14 1.13 0.07 0.00 -0.01 0.00 0.00 57.00 58.06 2cqx n GLN 54 Cb 0.40 -1.68 0.20 0.00 1.02 0.00 0.00 30.24 30.19 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 0.18 0.23 0.23 0.00 7.01 0.16 -1.11 115.95 122.66 2cqx h TRP 56 Ca 0.45 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.48 2cqx h TRP 56 Cb 0.83 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 2cqx h TRP 56 CO -0.33 0.06 -0.22 0.74 -2.79 0.00 0.00 178.44 175.90 2cqx h PHE 57 N 0.29 -0.58 -0.91 2.65 0.04 -0.51 0.67 116.94 118.58 2cqx h PHE 57 Ca 0.22 0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.14 2cqx h PHE 57 Cb 0.25 0.23 -0.09 0.00 2.20 0.00 0.00 35.95 38.54 2cqx h PHE 57 CO -0.18 -0.33 0.52 -0.09 -0.60 0.00 0.00 178.31 177.64 2cqx h ARG 58 N -0.48 0.75 -0.47 1.51 2.43 -0.99 -0.65 114.38 116.49 2cqx h ARG 58 Ca -0.00 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 2cqx h ARG 58 Cb 0.44 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2cqx h ARG 58 CO -0.05 0.50 -0.19 1.25 -1.51 0.00 0.00 179.97 179.97 2cqx h HIS 59 N 0.77 1.05 -0.55 2.20 2.76 -0.72 -3.26 115.15 117.40 2cqx h HIS 59 Ca 0.48 -0.24 0.05 0.00 -2.20 0.00 0.00 60.37 58.47 2cqx h HIS 59 Cb 0.61 -0.25 -0.08 0.00 1.55 0.00 0.00 27.41 29.24 2cqx h HIS 59 CO -0.05 1.03 -0.46 -0.09 -1.30 0.00 0.00 177.93 177.06 2cqx h ARG 60 N 0.81 -0.17 -0.63 5.26 9.65 0.75 -0.56 114.38 129.49 2cqx h ARG 60 Ca 0.11 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.12 2cqx h ARG 60 Cb 0.74 0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 29.24 2cqx h ARG 60 CO 0.06 -0.11 -0.32 0.00 2.80 0.00 0.00 179.97 182.40 2cqx h ARG 61 N -0.17 -0.13 -0.63 0.20 3.08 -1.59 -0.03 114.38 115.10 2cqx h ARG 61 Ca 0.09 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.27 2cqx h ARG 61 Cb 0.41 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.37 2cqx h ARG 61 CO -0.61 -0.09 -0.27 -0.91 -1.07 0.00 0.00 179.97 177.02 2cqx h ASN 62 N -0.13 -0.97 -0.41 7.04 2.35 -1.21 0.22 115.58 122.48 2cqx h ASN 62 Ca 0.25 0.22 0.01 0.00 -0.55 0.00 0.00 56.30 56.24 2cqx h ASN 62 Cb 0.55 0.52 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 2cqx h ASN 62 CO -0.70 -0.28 0.25 1.56 -1.65 0.00 0.00 177.43 176.61 2cqx h GLN 63 N -0.10 0.49 0.65 0.81 4.20 -0.30 -3.09 115.11 117.77 2cqx h GLN 63 Ca 0.27 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 2cqx h GLN 63 Cb 0.54 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2cqx h GLN 63 CO -0.70 0.32 -0.44 0.22 -0.67 0.00 0.00 178.83 177.57 2cqx h ASP 64 N 0.50 -1.14 -2.85 1.46 3.58 0.47 -3.44 116.42 115.00 2cqx h ASP 64 Ca 0.16 0.07 -0.54 0.00 0.42 0.00 0.00 57.03 57.14 2cqx h ASP 64 Cb -0.01 0.35 0.22 0.00 1.72 0.00 0.00 39.33 41.61 2cqx h ASP 64 CO -0.06 -0.66 -1.02 0.29 -2.88 0.00 0.00 179.24 174.91 2cqx n LYS 65 N -5.56 -0.11 0.00 0.28 4.76 0.58 -4.82 118.16 113.28 2cqx n LYS 65 Ca -0.13 -0.01 0.07 0.00 -2.87 0.00 0.00 58.31 55.37 2cqx n LYS 65 Cb 0.45 -1.53 0.31 0.00 -1.84 0.00 0.00 35.03 32.43 2cqx n LYS 65 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2cqx n PRO 66 N -0.03 0.04 -3.46 1.97 -0.04 -1.26 -4.65 135.00 127.56 2cqx n PRO 66 Ca 0.04 0.24 -0.38 0.00 -0.04 0.00 0.00 63.50 63.36 2cqx n PRO 66 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2cqx n PRO 66 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqx s SER 67 N -2.93 6.36 0.00 3.54 1.04 -1.26 -4.92 113.70 115.53 2cqx s SER 67 Ca 0.08 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2cqx s SER 67 Cb 0.09 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 64.02 2cqx s SER 67 CO 0.25 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2cqx n GLY 68 N 4.00 -1.78 0.16 7.32 0.00 -1.26 -4.60 105.19 109.02 2cqx n GLY 68 Ca -0.10 0.75 0.13 0.00 0.00 0.00 0.00 46.02 46.80 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 0.00 -5.70 1.61 0.13 -1.98 -3.44 132.00 122.62 2cqx h PRO 69 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2cqx h PRO 69 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2cqx h PRO 69 CO 0.00 0.00 1.50 0.43 -0.23 0.00 0.00 178.00 179.70 2cqx n SER 70 N -2.42 1.31 -4.10 1.44 7.64 -1.26 -4.86 113.62 111.37 2cqx n SER 70 Ca 0.02 0.32 -0.36 0.00 1.01 0.00 0.00 58.87 59.86 2cqx n SER 70 Cb 0.24 -1.11 -0.07 0.00 -1.01 0.00 0.00 64.21 62.25 2cqx n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cqx s SER 71 N 7.95 5.73 0.00 6.43 0.15 -1.26 -5.16 113.70 127.54 2cqx s SER 71 Ca 1.18 -3.44 0.00 0.00 0.70 0.00 0.00 55.95 54.39 2cqx s SER 71 Cb -1.06 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 2cqx s SER 71 CO 0.51 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.32