#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 -4.88 -4.29 1.61 3.41 -1.26 -4.73 113.62 103.48 2cqx n SER 2 Ca 0.00 0.21 -0.45 0.00 -0.26 0.00 0.00 58.87 58.37 2cqx n SER 2 Cb 0.00 -0.87 -0.02 0.00 -0.26 0.00 0.00 64.21 63.06 2cqx n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cqx n SER 3 N 2.17 -1.95 -0.15 4.04 2.88 -1.26 -4.68 113.62 114.67 2cqx n SER 3 Ca 0.00 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2cqx n SER 3 Cb 0.56 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2cqx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqx n GLY 4 N 2.12 -0.29 3.22 0.46 0.00 -1.26 -5.02 105.19 104.42 2cqx n GLY 4 Ca 0.15 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 2cqx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqx n SER 5 N -0.02 -3.91 -4.56 1.61 7.64 -1.26 -4.70 113.62 108.41 2cqx n SER 5 Ca 0.00 0.28 -0.38 0.00 1.01 0.00 0.00 58.87 59.78 2cqx n SER 5 Cb 0.00 -0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 62.18 2cqx n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cqx s SER 6 N -1.50 4.86 1.05 6.43 0.01 -1.26 -4.94 113.70 118.34 2cqx s SER 6 Ca 0.49 1.18 -0.13 0.00 1.31 0.00 0.00 55.95 58.81 2cqx s SER 6 Cb -0.21 -2.51 0.22 0.00 0.21 0.00 0.00 66.02 63.73 2cqx s SER 6 CO 0.74 -2.54 1.08 -0.83 0.41 0.00 0.00 173.24 172.10 2cqx s GLY 7 N 10.43 1.56 0.00 3.44 0.00 -1.26 -4.52 107.32 116.96 2cqx s GLY 7 Ca 0.93 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.31 2cqx s GLY 7 CO 0.28 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.29 2cqx n GLY 8 N -0.68 0.71 3.51 0.20 0.00 -1.26 -4.89 105.19 102.78 2cqx n GLY 8 Ca 0.04 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 5.18 0.05 -0.61 1.01 -1.26 -5.03 121.20 120.53 2cqx s ILE 9 Ca 0.00 -0.22 -0.36 0.00 0.00 0.00 0.00 60.65 60.07 2cqx s ILE 9 Cb 0.00 -3.89 -0.15 0.00 0.01 0.00 0.00 42.46 38.43 2cqx s ILE 9 CO 0.00 -0.21 1.51 0.29 0.00 0.00 0.00 174.94 176.53 2cqx n LYS 10 N 5.37 1.54 -3.26 2.79 4.01 -1.26 -0.46 118.16 126.89 2cqx n LYS 10 Ca -0.09 0.56 -0.23 0.00 -0.51 0.00 0.00 58.31 58.04 2cqx n LYS 10 Cb 0.48 -2.26 0.01 0.00 -0.51 0.00 0.00 35.03 32.75 2cqx n LYS 10 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2cqx n ASP 11 N 3.51 -4.37 -3.36 4.39 9.92 -1.26 -4.83 116.55 120.55 2cqx n ASP 11 Ca 0.19 -0.35 -0.32 0.00 -0.53 0.00 0.00 54.79 53.78 2cqx n ASP 11 Cb 0.22 -3.59 0.00 0.00 -0.64 0.00 0.00 41.12 37.12 2cqx n ASP 11 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2cqx n SER 12 N -2.35 -2.65 -4.77 -2.24 3.41 0.39 -4.85 113.62 100.56 2cqx n SER 12 Ca -0.04 0.56 -0.37 0.00 -0.26 0.00 0.00 58.87 58.76 2cqx n SER 12 Cb 0.56 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 2cqx n SER 12 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2cqx s PRO 13 N -0.79 3.78 -0.74 4.33 0.04 -1.26 -3.75 135.00 136.62 2cqx s PRO 13 Ca 0.46 1.78 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 2cqx s PRO 13 Cb -0.43 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2cqx s PRO 13 CO 0.51 -0.53 0.63 0.28 0.04 0.00 0.00 177.00 177.92 2cqx n VAL 14 N -0.44 -2.73 -1.03 -0.36 0.31 -1.26 -5.01 118.33 107.81 2cqx n VAL 14 Ca 0.07 -0.17 -0.29 0.00 -0.01 0.00 0.00 64.34 63.95 2cqx n VAL 14 Cb 0.48 -3.52 0.19 0.00 -0.91 0.00 0.00 33.84 30.08 2cqx n VAL 14 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2cqx s ASN 15 N -3.53 2.28 -0.30 4.52 3.04 -1.25 -5.07 114.94 114.63 2cqx s ASN 15 Ca 0.15 1.28 -0.09 0.00 0.04 0.00 0.00 52.86 54.24 2cqx s ASN 15 Cb -0.06 -1.97 0.15 0.00 -1.54 0.00 0.00 41.25 37.82 2cqx s ASN 15 CO 0.42 -3.36 0.69 -0.75 -3.04 0.00 0.00 177.10 171.07 2cqx s LYS 16 N -4.85 0.53 0.05 0.43 2.20 -1.26 -5.06 119.74 111.78 2cqx s LYS 16 Ca 0.66 1.26 -0.25 0.00 -0.36 0.00 0.00 55.97 57.28 2cqx s LYS 16 Cb -0.20 0.75 -0.17 0.00 -1.51 0.00 0.00 37.83 36.70 2cqx s LYS 16 CO 0.59 -0.26 1.54 -0.39 -0.36 0.00 0.00 175.35 176.47 2cqx h VAL 17 N 5.92 1.05 -2.75 4.02 -1.51 -2.02 -3.40 116.25 117.56 2cqx h VAL 17 Ca -0.18 -0.41 0.04 0.00 -1.23 0.00 0.00 66.70 64.91 2cqx h VAL 17 Cb 1.11 1.32 -0.12 0.00 -2.13 0.00 0.00 31.29 31.47 2cqx h VAL 17 CO 0.12 0.10 0.31 -1.61 -1.23 0.00 0.00 177.57 175.27 2cqx s GLU 18 N -5.43 1.19 0.00 5.19 0.41 -1.26 -4.09 118.70 114.72 2cqx s GLU 18 Ca -0.14 -0.49 0.09 0.00 -0.41 0.00 0.00 54.97 54.02 2cqx s GLU 18 Cb 0.04 0.52 0.57 0.00 -1.78 0.00 0.00 34.13 33.48 2cqx s GLU 18 CO 0.65 -0.53 1.01 -0.35 -0.49 0.00 0.00 175.26 175.55 2cqx n PRO 19 N -0.35 0.49 -0.17 0.39 -0.04 -1.26 -3.26 135.00 130.79 2cqx n PRO 19 Ca -0.13 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2cqx n PRO 19 Cb 0.63 -1.31 0.06 0.00 -0.04 0.00 0.00 33.50 32.85 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 2.12 -0.39 3.54 5.03 -1.26 -4.38 115.26 119.10 2cqx n ASN 20 Ca 0.07 -2.19 0.32 0.00 0.87 0.00 0.00 54.58 53.66 2cqx n ASN 20 Cb 0.03 -0.54 0.59 0.00 -1.02 0.00 0.00 39.78 38.85 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 0.56 0.33 -1.29 6.41 3.04 -2.01 0.19 116.42 123.65 2cqx h ASP 21 Ca 0.03 0.16 0.37 0.00 -3.24 0.00 0.00 57.03 54.35 2cqx h ASP 21 Cb 0.88 0.13 -0.05 0.00 -1.04 0.00 0.00 39.33 39.26 2cqx h ASP 21 CO 0.11 -0.18 1.19 0.41 -2.04 0.00 0.00 179.24 178.73 2cqx n THR 22 N -4.83 0.00 -0.04 1.15 -1.04 -1.26 0.15 114.28 108.41 2cqx n THR 22 Ca 0.35 1.23 -0.14 0.00 -2.04 0.00 0.00 64.05 63.45 2cqx n THR 22 Cb 1.26 -2.13 -0.11 0.00 -1.82 0.00 0.00 70.33 67.53 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 0.04 -0.97 -4.42 4.07 -1.00 -3.25 115.31 109.77 2cqx h LEU 23 Ca 0.61 -0.74 0.34 0.00 0.08 0.00 0.00 57.88 58.17 2cqx h LEU 23 Cb 2.98 -0.01 -0.10 0.00 1.08 0.00 0.00 40.66 44.61 2cqx h LEU 23 CO -0.01 0.77 0.62 1.21 -1.08 0.00 0.00 178.44 179.95 2cqx n GLU 24 N -4.70 -0.03 0.01 1.13 2.13 0.40 -0.23 120.64 119.36 2cqx n GLU 24 Ca -0.09 0.91 -0.01 0.00 0.66 0.00 0.00 57.16 58.62 2cqx n GLU 24 Cb 0.38 -1.77 -0.00 0.00 0.27 0.00 0.00 31.44 30.32 2cqx n GLU 24 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2cqx h LYS 25 N 0.00 -0.05 -1.22 5.31 3.64 -1.61 -3.29 116.57 119.35 2cqx h LYS 25 Ca 0.63 0.00 0.39 0.00 -1.27 0.00 0.00 60.65 60.40 2cqx h LYS 25 Cb 2.00 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 33.71 2cqx h LYS 25 CO -0.35 -0.04 0.78 -0.24 -2.27 0.00 0.00 179.45 177.33 2cqx h VAL 26 N -0.21 0.21 -0.50 2.00 3.04 -0.92 1.17 116.25 121.04 2cqx h VAL 26 Ca -0.01 -0.06 0.09 0.00 -1.01 0.00 0.00 66.70 65.71 2cqx h VAL 26 Cb 0.04 0.04 -0.07 0.00 -2.01 0.00 0.00 31.29 29.29 2cqx h VAL 26 CO 0.01 0.03 0.10 0.15 -1.01 0.00 0.00 177.57 176.84 2cqx h PHE 27 N 0.16 0.15 -0.31 3.17 3.04 -0.68 0.32 116.94 122.79 2cqx h PHE 27 Ca 0.77 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.75 2cqx h PHE 27 Cb 2.27 0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.79 2cqx h PHE 27 CO -0.01 -0.01 0.00 1.55 -2.02 0.00 0.00 178.31 177.82 2cqx n VAL 28 N -5.12 0.58 -0.13 1.41 3.14 0.13 -1.18 118.33 117.18 2cqx n VAL 28 Ca 0.06 -0.79 -0.25 0.00 -2.96 0.00 0.00 64.34 60.39 2cqx n VAL 28 Cb 0.25 0.85 -0.10 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 0.99 1.89 -0.10 6.55 2.88 0.36 -4.82 113.62 121.37 2cqx n SER 29 Ca 0.14 0.21 -0.18 0.00 -1.33 0.00 0.00 58.87 57.71 2cqx n SER 29 Cb 0.47 -0.66 -0.08 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 -3.92 1.07 -3.61 2.46 0.24 0.10 -4.99 118.33 109.68 2cqx n VAL 30 Ca -0.49 -0.33 -0.05 0.00 -2.04 0.00 0.00 64.34 61.43 2cqx n VAL 30 Cb 0.88 -1.50 -0.04 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.36 0.00 0.17 3.34 -1.32 -0.58 -5.04 115.64 109.85 2cqx s THR 31 Ca -0.26 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.17 2cqx s THR 31 Cb 0.09 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.99 2cqx s THR 31 CO 0.38 0.00 1.45 0.11 -2.21 0.00 0.00 174.62 174.35 2cqx h LYS 32 N 2.17 0.56 -3.20 7.08 1.79 -1.41 -3.30 116.57 120.25 2cqx h LYS 32 Ca -0.11 -0.39 -0.61 0.00 -2.18 0.00 0.00 60.65 57.36 2cqx h LYS 32 Cb 1.17 0.06 -0.40 0.00 -1.58 0.00 0.00 32.23 31.49 2cqx h LYS 32 CO 0.25 1.01 -0.74 0.71 -1.08 0.00 0.00 179.45 179.60 2cqx s TYR 33 N -3.85 2.00 1.12 -1.35 1.51 -1.26 -4.88 117.35 110.63 2cqx s TYR 33 Ca -0.07 -2.29 -0.16 0.00 -1.01 0.00 0.00 57.07 53.54 2cqx s TYR 33 Cb 0.11 -1.90 0.25 0.00 -0.11 0.00 0.00 41.96 40.30 2cqx s TYR 33 CO 0.85 -0.81 1.10 -1.25 -1.11 0.00 0.00 175.55 174.33 2cqx s PRO 34 N 0.68 -0.52 0.39 -1.71 0.04 -1.26 -5.09 135.00 127.53 2cqx s PRO 34 Ca 0.15 0.18 0.08 0.00 0.04 0.00 0.00 61.00 61.46 2cqx s PRO 34 Cb -0.23 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 2cqx s PRO 34 CO -0.06 -3.30 -0.02 -0.51 0.04 0.00 0.00 177.00 173.15 2cqx s ASP 35 N -3.69 3.85 0.17 6.66 1.01 -1.26 -4.98 116.67 118.43 2cqx s ASP 35 Ca 0.68 -1.30 -0.16 0.00 0.71 0.00 0.00 52.55 52.48 2cqx s ASP 35 Cb -0.14 -0.39 0.14 0.00 1.01 0.00 0.00 42.92 43.55 2cqx s ASP 35 CO 0.57 -0.37 1.25 1.21 0.21 0.00 0.00 175.17 178.04 2cqx n GLU 36 N -0.92 -0.22 -0.30 8.23 4.07 -1.26 -0.13 120.64 130.11 2cqx n GLU 36 Ca -0.05 1.24 -0.05 0.00 -0.06 0.00 0.00 57.16 58.25 2cqx n GLU 36 Cb 0.66 -1.84 -0.02 0.00 -0.06 0.00 0.00 31.44 30.18 2cqx n GLU 36 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2cqx n LYS 37 N -5.15 -0.25 -0.06 5.31 4.76 -1.26 0.37 118.16 121.87 2cqx n LYS 37 Ca 0.07 1.15 -0.12 0.00 -2.87 0.00 0.00 58.31 56.55 2cqx n LYS 37 Cb 0.30 -1.70 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 2cqx n LYS 37 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2cqx h ARG 38 N 0.00 0.32 -0.87 1.97 2.43 -0.92 -3.05 114.38 114.26 2cqx h ARG 38 Ca 0.19 -0.10 0.20 0.00 -0.81 0.00 0.00 59.98 59.47 2cqx h ARG 38 Cb 0.38 -0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 29.78 2cqx h ARG 38 CO -0.73 0.52 0.37 -0.07 -1.51 0.00 0.00 179.97 178.55 2cqx h LEU 39 N 0.07 0.31 -0.85 3.80 -0.00 0.82 -0.11 115.31 119.36 2cqx h LEU 39 Ca 0.05 0.15 0.20 0.00 -0.00 0.00 0.00 57.88 58.28 2cqx h LEU 39 Cb 0.38 0.13 -0.15 0.00 -0.00 0.00 0.00 40.66 41.01 2cqx h LEU 39 CO 0.01 0.02 -0.02 0.11 -0.00 0.00 0.00 178.44 178.56 2cqx h LYS 40 N 0.41 0.06 0.54 1.13 1.57 -0.39 0.23 116.57 120.12 2cqx h LYS 40 Ca 0.53 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.28 2cqx h LYS 40 Cb 0.97 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.27 2cqx h LYS 40 CO -0.51 0.04 -0.26 0.78 -0.57 0.00 0.00 179.45 178.94 2cqx h GLY 41 N 0.07 -0.75 -0.39 3.86 0.00 -1.14 -3.15 103.07 101.56 2cqx h GLY 41 Ca 0.47 0.28 0.30 0.00 0.00 0.00 0.00 47.33 48.38 2cqx h GLY 41 CO -0.78 -0.27 0.64 1.41 0.00 0.00 0.00 176.54 177.54 2cqx h LEU 42 N -0.93 0.51 -1.40 3.11 3.38 -1.28 0.60 115.31 119.29 2cqx h LEU 42 Ca -0.07 0.14 0.17 0.00 0.09 0.00 0.00 57.88 58.21 2cqx h LEU 42 Cb 0.55 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 2cqx h LEU 42 CO 0.12 -0.02 0.57 -1.28 0.09 0.00 0.00 178.44 177.93 2cqx h SER 43 N 0.38 0.52 0.01 -0.43 0.87 -0.51 -0.71 113.55 113.68 2cqx h SER 43 Ca 0.68 0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 61.06 2cqx h SER 43 Cb 1.63 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.50 2cqx h SER 43 CO -0.46 0.24 -1.23 0.50 -0.53 0.00 0.00 176.83 175.35 2cqx h LYS 44 N 0.54 0.03 -0.38 2.24 1.63 0.10 0.47 116.57 121.21 2cqx h LYS 44 Ca 0.45 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 60.26 2cqx h LYS 44 Cb 0.93 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.49 2cqx h LYS 44 CO -0.19 1.02 -0.49 0.37 -3.45 0.00 0.00 179.45 176.71 2cqx h GLN 45 N -0.89 -0.37 -0.70 1.90 5.75 -0.74 0.39 115.11 120.45 2cqx h GLN 45 Ca -0.33 0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.14 2cqx h GLN 45 Cb 1.35 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.95 2cqx h GLN 45 CO -0.16 -0.25 0.08 1.28 -2.65 0.00 0.00 178.83 177.13 2cqx n LEU 46 N -5.40 5.14 -4.24 -2.39 4.77 -0.30 -4.92 117.00 109.66 2cqx n LEU 46 Ca -0.02 -2.63 -0.34 0.00 -0.03 0.00 0.00 56.01 52.99 2cqx n LEU 46 Cb 0.35 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 2cqx n LEU 46 CO 0.03 0.62 -0.31 0.47 -1.33 0.00 0.00 177.39 176.87 2cqx n ASP 47 N 0.33 -0.29 -4.35 -1.43 8.00 0.13 -4.90 116.55 114.03 2cqx n ASP 47 Ca 0.27 -1.17 -0.23 0.00 0.71 0.00 0.00 54.79 54.38 2cqx n ASP 47 Cb 1.11 -1.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 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 -4.06 -0.49 -4.41 1.24 7.02 0.16 -4.96 117.44 111.94 2cqx n TRP 48 Ca -0.12 -1.97 -0.35 0.00 -1.02 0.00 0.00 57.50 54.05 2cqx n TRP 48 Cb 0.54 -0.36 -0.10 0.00 -2.42 0.00 0.00 31.31 28.97 2cqx n TRP 48 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2cqx s SER 49 N -3.65 5.12 0.37 -0.99 0.15 -1.26 -4.43 113.70 109.00 2cqx s SER 49 Ca 0.22 0.10 0.20 0.00 0.70 0.00 0.00 55.95 57.17 2cqx s SER 49 Cb -0.02 -1.45 1.31 0.00 -1.71 0.00 0.00 66.02 64.15 2cqx s SER 49 CO 0.14 0.36 1.59 1.62 1.20 0.00 0.00 173.24 178.15 2cqx h VAL 50 N 4.25 0.04 0.18 4.45 3.04 -1.93 0.16 116.25 126.45 2cqx h VAL 50 Ca -0.49 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.18 2cqx h VAL 50 Cb 1.19 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2cqx h VAL 50 CO 0.55 0.01 -0.09 0.03 -1.01 0.00 0.00 177.57 177.06 2cqx h ARG 51 N 0.04 -0.24 -0.74 4.17 3.08 -1.99 -2.87 114.38 115.84 2cqx h ARG 51 Ca 0.83 0.02 0.17 0.00 0.07 0.00 0.00 59.98 61.06 2cqx h ARG 51 Cb 2.16 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 32.14 2cqx h ARG 51 CO -0.75 0.10 0.01 -0.22 -1.07 0.00 0.00 179.97 178.04 2cqx h LYS 52 N -0.96 0.11 0.45 0.04 3.64 -1.32 -1.40 116.57 117.11 2cqx h LYS 52 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2cqx h LYS 52 Cb 0.45 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2cqx h LYS 52 CO 0.04 0.07 -0.30 0.82 -2.27 0.00 0.00 179.45 177.81 2cqx h ILE 53 N 0.11 0.38 -0.97 2.00 2.04 -0.89 -2.78 117.51 117.40 2cqx h ILE 53 Ca 0.40 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.49 2cqx h ILE 53 Cb 0.70 0.38 -0.18 0.00 -0.74 0.00 0.00 36.82 36.97 2cqx h ILE 53 CO -0.64 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 177.39 2cqx n GLN 54 N -5.43 -0.08 -0.23 2.37 6.02 -0.56 0.10 117.38 119.57 2cqx n GLN 54 Ca -0.11 1.49 0.03 0.00 -0.01 0.00 0.00 57.00 58.40 2cqx n GLN 54 Cb 0.33 -2.30 0.15 0.00 1.02 0.00 0.00 30.24 29.44 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 0.36 0.55 -0.14 0.00 7.01 0.73 -1.52 115.95 122.95 2cqx h TRP 56 Ca 0.36 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.39 2cqx h TRP 56 Cb 0.54 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 2cqx h TRP 56 CO -0.20 0.20 0.09 0.74 -2.79 0.00 0.00 178.44 176.48 2cqx h PHE 57 N 0.55 0.18 -0.94 2.65 0.04 -0.87 -0.25 116.94 118.29 2cqx h PHE 57 Ca 0.32 0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.18 2cqx h PHE 57 Cb 0.32 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.34 2cqx h PHE 57 CO -0.12 0.13 0.60 -0.09 -0.60 0.00 0.00 178.31 178.24 2cqx h ARG 58 N 0.17 0.95 -0.16 1.51 2.43 -0.75 -1.20 114.38 117.33 2cqx h ARG 58 Ca 0.05 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 2cqx h ARG 58 Cb 0.00 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2cqx h ARG 58 CO -0.01 0.63 -0.60 1.25 -1.51 0.00 0.00 179.97 179.73 2cqx h HIS 59 N 0.98 0.66 0.05 2.20 2.76 -0.86 -3.28 115.15 117.66 2cqx h HIS 59 Ca 0.43 -0.25 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 2cqx h HIS 59 Cb 0.37 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.16 2cqx h HIS 59 CO -0.00 0.99 -0.33 -0.09 -1.30 0.00 0.00 177.93 177.19 2cqx h ARG 60 N 0.39 -0.50 -0.99 5.26 9.65 0.20 -1.96 114.38 126.43 2cqx h ARG 60 Ca -0.00 0.03 0.26 0.00 -1.10 0.00 0.00 59.98 59.17 2cqx h ARG 60 Cb 1.15 0.11 -0.19 0.00 -1.39 0.00 0.00 29.97 29.66 2cqx h ARG 60 CO 0.11 -0.33 -0.02 0.00 2.80 0.00 0.00 179.97 182.53 2cqx h ARG 61 N -0.52 0.00 -0.24 0.20 3.08 -1.55 0.59 114.38 115.95 2cqx h ARG 61 Ca 0.05 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2cqx h ARG 61 Cb 0.58 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2cqx h ARG 61 CO -0.24 0.00 0.15 -0.97 -1.07 0.00 0.00 179.97 177.84 2cqx h ASN 62 N 0.00 0.28 -0.86 7.04 -1.24 -1.49 -2.30 115.58 117.02 2cqx h ASN 62 Ca 0.58 -0.03 0.17 0.00 0.71 0.00 0.00 56.30 57.73 2cqx h ASN 62 Cb 1.17 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 40.08 2cqx h ASN 62 CO -0.95 0.23 0.56 1.56 -1.29 0.00 0.00 177.43 177.55 2cqx h GLN 63 N 0.31 0.48 -0.81 6.67 4.20 0.53 -1.92 115.11 124.57 2cqx h GLN 63 Ca 0.09 -0.03 0.34 0.00 0.06 0.00 0.00 58.65 59.10 2cqx h GLN 63 Cb -0.01 -0.11 -0.15 0.00 0.30 0.00 0.00 27.48 27.52 2cqx h GLN 63 CO -0.02 0.32 0.43 -0.40 -0.67 0.00 0.00 178.83 178.49 2cqx n ASP 64 N -4.52 0.28 -4.19 1.46 5.75 -0.69 -3.96 116.55 110.67 2cqx n ASP 64 Ca 0.17 1.34 -0.31 0.00 -0.01 0.00 0.00 54.79 55.99 2cqx n ASP 64 Cb 0.59 -0.65 -0.17 0.00 -1.03 0.00 0.00 41.12 39.86 2cqx n ASP 64 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2cqx s LYS 65 N -5.24 2.76 -0.02 0.11 0.00 -0.72 -5.04 119.74 111.59 2cqx s LYS 65 Ca -0.07 -0.80 -0.25 0.00 0.00 0.00 0.00 55.97 54.84 2cqx s LYS 65 Cb 0.27 -2.13 -0.19 0.00 0.00 0.00 0.00 37.83 35.79 2cqx s LYS 65 CO 0.63 0.17 1.21 -1.00 0.00 0.00 0.00 175.35 176.36 2cqx h PRO 66 N 6.68 -0.09 -6.44 1.78 0.13 -1.82 -3.46 132.00 128.79 2cqx h PRO 66 Ca -0.22 0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.51 2cqx h PRO 66 Cb 1.22 0.02 0.21 0.00 0.13 0.00 0.00 31.00 32.59 2cqx h PRO 66 CO 0.47 0.37 -1.09 0.43 -0.23 0.00 0.00 178.00 177.95 2cqx n SER 67 N -4.90 -2.62 0.00 1.44 7.64 -1.26 -4.86 113.62 109.06 2cqx n SER 67 Ca -0.08 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2cqx n SER 67 Cb 0.25 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2cqx n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqx n GLY 68 N 2.30 0.76 0.00 0.23 0.00 -1.26 -4.98 105.19 102.25 2cqx n GLY 68 Ca 0.02 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.46 2cqx n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqx n PRO 69 N 0.00 0.28 -1.70 1.61 -0.04 -1.26 -4.81 135.00 129.08 2cqx n PRO 69 Ca 0.00 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 2cqx n PRO 69 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2cqx n PRO 69 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cqx n SER 70 N -1.21 3.79 -4.86 3.54 7.64 -1.26 -4.97 113.62 116.29 2cqx n SER 70 Ca 0.08 1.05 -0.31 0.00 1.01 0.00 0.00 58.87 60.70 2cqx n SER 70 Cb 0.10 -1.53 -0.04 0.00 -1.01 0.00 0.00 64.21 61.73 2cqx n SER 70 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cqx s SER 71 N 1.39 6.60 0.00 6.43 1.04 -1.26 -5.24 113.70 122.66 2cqx s SER 71 Ca 0.77 1.32 0.00 0.00 0.48 0.00 0.00 55.95 58.52 2cqx s SER 71 Cb -0.54 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.18 2cqx s SER 71 CO 0.35 -0.44 0.35 0.61 0.98 0.00 0.00 173.24 175.09