#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 -0.17 0.08 1.61 0.15 -1.26 -5.19 113.70 108.92 2cqx s SER 2 Ca 0.00 -0.45 -0.26 0.00 0.70 0.00 0.00 55.95 55.94 2cqx s SER 2 Cb 0.00 0.52 0.09 0.00 -1.71 0.00 0.00 66.02 64.92 2cqx s SER 2 CO 0.00 -0.96 1.14 -0.55 1.20 0.00 0.00 173.24 174.07 2cqx s SER 3 N -2.97 -0.05 0.00 5.45 0.15 -1.26 -5.10 113.70 109.92 2cqx s SER 3 Ca 0.13 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2cqx s SER 3 Cb -0.02 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2cqx s SER 3 CO 0.03 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2cqx n GLY 4 N -0.63 1.24 3.75 9.45 0.00 -1.26 -4.98 105.19 112.76 2cqx n GLY 4 Ca -0.04 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 2cqx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cqx n SER 5 N 0.00 -1.03 -4.27 1.61 3.41 -1.26 -4.85 113.62 107.23 2cqx n SER 5 Ca 0.00 -0.92 -0.17 0.00 -0.26 0.00 0.00 58.87 57.52 2cqx n SER 5 Cb 0.00 -1.17 -0.10 0.00 -0.26 0.00 0.00 64.21 62.68 2cqx n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cqx s SER 6 N -2.86 1.34 0.00 4.04 0.01 -1.26 -5.15 113.70 109.82 2cqx s SER 6 Ca 0.52 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2cqx s SER 6 Cb -0.30 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2cqx s SER 6 CO 0.75 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2cqx n GLY 7 N -0.51 2.24 0.68 3.44 0.00 -1.26 -5.12 105.19 104.66 2cqx n GLY 7 Ca -0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.90 -1.94 3.34 -0.02 0.00 -1.26 -5.02 105.19 98.39 2cqx n GLY 8 Ca 0.00 0.56 -0.21 0.00 0.00 0.00 0.00 46.02 46.37 2cqx n GLY 8 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2cqx n ILE 9 N -1.50 -0.23 -3.83 -0.61 3.06 -1.26 -4.84 119.36 110.15 2cqx n ILE 9 Ca 0.00 -0.12 -0.29 0.00 -2.50 0.00 0.00 62.75 59.84 2cqx n ILE 9 Cb 0.00 -0.40 -0.16 0.00 0.54 0.00 0.00 39.64 39.63 2cqx n ILE 9 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 2cqx s LYS 10 N -4.89 1.08 -0.29 9.51 2.36 -1.26 -5.09 119.74 121.16 2cqx s LYS 10 Ca 0.28 -0.89 0.01 0.00 -2.55 0.00 0.00 55.97 52.82 2cqx s LYS 10 Cb -0.16 -2.33 0.09 0.00 -1.05 0.00 0.00 37.83 34.38 2cqx s LYS 10 CO 0.57 -0.73 0.04 0.16 1.55 0.00 0.00 175.35 176.94 2cqx s ASP 11 N 1.56 4.17 -0.11 1.43 -4.77 -1.26 -5.09 116.67 112.60 2cqx s ASP 11 Ca 0.01 -1.64 -0.30 0.00 -3.30 0.00 0.00 52.55 47.32 2cqx s ASP 11 Cb -0.18 -1.18 0.12 0.00 -1.09 0.00 0.00 42.92 40.59 2cqx s ASP 11 CO -0.12 -0.35 0.95 -0.94 0.70 0.00 0.00 175.17 175.41 2cqx s SER 12 N 1.34 -0.38 0.76 2.11 1.04 -1.26 -5.17 113.70 112.15 2cqx s SER 12 Ca 0.05 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 2cqx s SER 12 Cb -0.18 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.32 2cqx s SER 12 CO -0.14 -0.44 1.09 -2.16 0.98 0.00 0.00 173.24 172.57 2cqx s PRO 13 N -1.80 2.32 0.08 4.02 0.04 -1.26 -4.98 135.00 133.42 2cqx s PRO 13 Ca 0.00 1.20 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 2cqx s PRO 13 Cb -0.01 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2cqx s PRO 13 CO -0.02 -1.60 1.23 0.54 0.04 0.00 0.00 177.00 177.19 2cqx s VAL 14 N -2.84 3.87 -0.03 -0.36 0.11 -1.26 -5.03 120.40 114.86 2cqx s VAL 14 Ca 0.62 1.36 0.05 0.00 -2.93 0.00 0.00 61.98 61.08 2cqx s VAL 14 Cb -0.18 -3.87 -0.01 0.00 -1.53 0.00 0.00 36.38 30.79 2cqx s VAL 14 CO 0.54 0.12 -0.18 0.20 -3.33 0.00 0.00 175.10 172.45 2cqx s ASN 15 N 0.97 2.14 -0.10 3.54 0.02 -1.26 -5.13 114.94 115.11 2cqx s ASN 15 Ca 0.59 -0.34 -0.12 0.00 -1.02 0.00 0.00 52.86 51.97 2cqx s ASN 15 Cb -0.31 -0.40 -0.05 0.00 0.02 0.00 0.00 41.25 40.51 2cqx s ASN 15 CO 0.30 0.19 0.27 -0.75 0.02 0.00 0.00 177.10 177.13 2cqx s LYS 16 N -0.21 3.90 0.04 -0.60 2.47 -1.26 -5.01 119.74 119.07 2cqx s LYS 16 Ca 0.02 0.10 -0.26 0.00 -1.56 0.00 0.00 55.97 54.27 2cqx s LYS 16 Cb -0.09 -3.29 -0.17 0.00 -1.46 0.00 0.00 37.83 32.82 2cqx s LYS 16 CO 0.01 0.54 1.47 -0.39 0.16 0.00 0.00 175.35 177.13 2cqx h VAL 17 N 4.18 0.78 -3.26 4.02 -1.51 -2.03 -3.47 116.25 114.97 2cqx h VAL 17 Ca -0.48 -0.36 -0.02 0.00 -1.23 0.00 0.00 66.70 64.60 2cqx h VAL 17 Cb 1.20 0.99 -0.11 0.00 -2.13 0.00 0.00 31.29 31.24 2cqx h VAL 17 CO 0.66 0.08 0.05 -1.61 -1.23 0.00 0.00 177.57 175.52 2cqx s GLU 18 N -5.35 1.32 0.00 5.19 2.02 -1.26 -5.02 118.70 115.59 2cqx s GLU 18 Ca -0.15 -0.77 0.11 0.00 0.02 0.00 0.00 54.97 54.18 2cqx s GLU 18 Cb 0.03 0.53 0.63 0.00 0.10 0.00 0.00 34.13 35.42 2cqx s GLU 18 CO 0.61 -0.56 1.06 -0.35 0.02 0.00 0.00 175.26 176.05 2cqx n PRO 19 N -0.33 0.49 -0.20 0.39 -0.04 -1.26 -3.26 135.00 130.78 2cqx n PRO 19 Ca -0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.33 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 2.39 -0.33 3.54 5.03 -1.26 -4.40 115.26 119.40 2cqx n ASN 20 Ca 0.08 -2.24 0.23 0.00 0.87 0.00 0.00 54.58 53.52 2cqx n ASN 20 Cb 0.04 -0.55 0.46 0.00 -1.02 0.00 0.00 39.78 38.70 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 0.58 0.44 -1.23 6.41 3.58 -2.01 0.50 116.42 124.69 2cqx h ASP 21 Ca 0.05 0.20 0.38 0.00 0.42 0.00 0.00 57.03 58.08 2cqx h ASP 21 Cb 1.01 0.16 -0.08 0.00 1.72 0.00 0.00 39.33 42.14 2cqx h ASP 21 CO 0.14 -0.15 0.85 0.41 -2.88 0.00 0.00 179.24 177.61 2cqx n THR 22 N -5.08 -0.09 -0.02 2.25 -1.04 -1.26 0.22 114.28 109.26 2cqx n THR 22 Ca 0.31 1.19 -0.13 0.00 -2.04 0.00 0.00 64.05 63.38 2cqx n THR 22 Cb 0.96 -1.97 -0.09 0.00 -1.82 0.00 0.00 70.33 67.41 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 -1.16 -4.42 4.07 -1.27 -3.10 115.31 109.46 2cqx h LEU 23 Ca 0.66 -0.45 0.38 0.00 0.08 0.00 0.00 57.88 58.55 2cqx h LEU 23 Cb 2.43 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 44.06 2cqx h LEU 23 CO -0.16 0.49 0.78 1.21 -1.08 0.00 0.00 178.44 179.67 2cqx n GLU 24 N -4.84 -0.02 0.02 1.13 2.13 0.59 -0.59 120.64 119.06 2cqx n GLU 24 Ca -0.08 0.90 -0.01 0.00 0.66 0.00 0.00 57.16 58.63 2cqx n GLU 24 Cb 0.25 -1.86 -0.00 0.00 0.27 0.00 0.00 31.44 30.09 2cqx n GLU 24 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2cqx h LYS 25 N 0.00 -0.06 -1.12 5.31 1.57 -1.59 -3.31 116.57 117.37 2cqx h LYS 25 Ca 0.67 0.00 0.37 0.00 -1.87 0.00 0.00 60.65 59.83 2cqx h LYS 25 Cb 2.33 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 34.51 2cqx h LYS 25 CO -0.25 -0.04 0.68 -0.24 -0.57 0.00 0.00 179.45 179.02 2cqx h VAL 26 N -0.21 0.21 -0.64 0.50 3.04 -0.89 0.80 116.25 119.06 2cqx h VAL 26 Ca -0.01 -0.07 0.13 0.00 -1.01 0.00 0.00 66.70 65.75 2cqx h VAL 26 Cb 0.05 -0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 29.23 2cqx h VAL 26 CO 0.01 0.04 0.08 0.15 -1.01 0.00 0.00 177.57 176.84 2cqx h PHE 27 N 0.20 0.10 -0.34 3.17 3.04 -0.95 0.36 116.94 122.52 2cqx h PHE 27 Ca 0.77 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.76 2cqx h PHE 27 Cb 2.07 0.05 0.00 0.00 2.56 0.00 0.00 35.95 40.64 2cqx h PHE 27 CO -0.01 -0.11 0.00 1.55 -2.02 0.00 0.00 178.31 177.72 2cqx n VAL 28 N -5.21 0.66 -0.13 1.41 3.14 0.12 -0.12 118.33 118.20 2cqx n VAL 28 Ca 0.10 -0.83 -0.27 0.00 -2.96 0.00 0.00 64.34 60.39 2cqx n VAL 28 Cb 0.37 0.78 -0.10 0.00 -1.06 0.00 0.00 33.84 33.84 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 0.93 1.88 -0.07 6.55 2.88 0.23 -4.83 113.62 121.19 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 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 63.15 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 -4.03 0.84 -3.63 2.46 0.24 0.11 -5.00 118.33 109.32 2cqx n VAL 30 Ca -0.50 -0.27 -0.05 0.00 -2.04 0.00 0.00 64.34 61.47 2cqx n VAL 30 Cb 0.88 -1.34 -0.06 0.00 -1.47 0.00 0.00 33.84 31.85 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 -2.29 0.00 0.17 3.34 -1.32 -0.52 -5.03 115.64 109.98 2cqx s THR 31 Ca -0.20 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.37 2cqx s THR 31 Cb 0.07 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.97 2cqx s THR 31 CO 0.31 0.00 1.47 0.11 -2.21 0.00 0.00 174.62 174.29 2cqx h LYS 32 N 2.95 0.00 -3.14 7.08 1.57 -0.76 -3.29 116.57 120.97 2cqx h LYS 32 Ca -0.20 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.94 2cqx h LYS 32 Cb 1.18 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.08 2cqx h LYS 32 CO 0.20 0.76 -0.52 0.71 -0.57 0.00 0.00 179.45 180.03 2cqx s TYR 33 N -3.17 3.58 0.79 -1.35 1.51 -1.26 -4.91 117.35 112.54 2cqx s TYR 33 Ca 0.00 -3.29 -0.11 0.00 -1.01 0.00 0.00 57.07 52.66 2cqx s TYR 33 Cb 0.11 -2.78 0.07 0.00 -0.11 0.00 0.00 41.96 39.25 2cqx s TYR 33 CO 0.78 -0.58 1.09 -1.25 -1.11 0.00 0.00 175.55 174.48 2cqx s PRO 34 N -1.34 2.08 0.25 -1.71 0.04 -1.26 -5.07 135.00 127.98 2cqx s PRO 34 Ca 0.24 1.11 0.10 0.00 0.04 0.00 0.00 61.00 62.50 2cqx s PRO 34 Cb -0.07 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2cqx s PRO 34 CO -0.15 -1.75 -0.07 -0.51 0.04 0.00 0.00 177.00 174.56 2cqx s ASP 35 N -3.39 4.26 0.32 6.66 1.11 -1.26 -5.00 116.67 119.37 2cqx s ASP 35 Ca 0.62 -0.71 0.17 0.00 0.18 0.00 0.00 52.55 52.80 2cqx s ASP 35 Cb -0.17 -0.70 1.12 0.00 1.07 0.00 0.00 42.92 44.24 2cqx s ASP 35 CO 0.56 0.04 1.37 1.21 1.18 0.00 0.00 175.17 179.53 2cqx n GLU 36 N -0.58 -0.05 -0.34 8.23 2.13 -1.26 0.46 120.64 129.22 2cqx n GLU 36 Ca -0.07 1.21 0.09 0.00 0.66 0.00 0.00 57.16 59.05 2cqx n GLU 36 Cb 0.58 -2.14 0.20 0.00 0.27 0.00 0.00 31.44 30.35 2cqx n GLU 36 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2cqx h LYS 37 N 0.00 0.01 -0.03 5.31 2.10 -2.02 0.18 116.57 122.13 2cqx h LYS 37 Ca 0.72 -0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 59.24 2cqx h LYS 37 Cb 1.87 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.21 2cqx h LYS 37 CO -0.68 0.00 -0.49 -0.09 -2.00 0.00 0.00 179.45 176.19 2cqx h ARG 38 N 0.01 0.38 -1.17 0.07 2.43 -0.39 -3.23 114.38 112.47 2cqx h ARG 38 Ca 0.52 -0.37 0.34 0.00 -0.81 0.00 0.00 59.98 59.66 2cqx h ARG 38 Cb 0.93 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.47 2cqx h ARG 38 CO -0.96 1.04 0.75 -0.07 -1.51 0.00 0.00 179.97 179.22 2cqx h LEU 39 N -0.14 0.34 -0.88 3.80 -0.00 -0.55 0.28 115.31 118.16 2cqx h LEU 39 Ca -0.05 0.11 0.21 0.00 -0.00 0.00 0.00 57.88 58.14 2cqx h LEU 39 Cb 1.19 0.06 -0.12 0.00 -0.00 0.00 0.00 40.66 41.79 2cqx h LEU 39 CO 0.10 -0.04 0.37 0.11 -0.00 0.00 0.00 178.44 178.98 2cqx h LYS 40 N 0.24 0.39 0.22 1.13 1.57 -1.16 0.15 116.57 119.11 2cqx h LYS 40 Ca 0.70 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.44 2cqx h LYS 40 Cb 2.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.23 2cqx h LYS 40 CO -0.35 0.26 -0.10 0.78 -0.57 0.00 0.00 179.45 179.47 2cqx h GLY 41 N 0.40 -0.30 -0.57 3.86 0.00 -0.64 -3.31 103.07 102.52 2cqx h GLY 41 Ca 0.54 0.11 0.32 0.00 0.00 0.00 0.00 47.33 48.30 2cqx h GLY 41 CO -0.52 -0.11 0.51 1.41 0.00 0.00 0.00 176.54 177.83 2cqx h LEU 42 N -0.68 0.40 -0.93 3.11 3.38 -1.44 0.24 115.31 119.40 2cqx h LEU 42 Ca -0.03 0.20 0.27 0.00 0.09 0.00 0.00 57.88 58.41 2cqx h LEU 42 Cb 0.22 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 40.99 2cqx h LEU 42 CO 0.05 -0.17 0.21 -1.28 0.09 0.00 0.00 178.44 177.34 2cqx h SER 43 N 0.27 -0.12 0.07 -0.43 0.87 -0.79 0.20 113.55 113.63 2cqx h SER 43 Ca 0.72 0.23 -0.17 0.00 -1.23 0.00 0.00 61.79 61.34 2cqx h SER 43 Cb 1.64 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 63.94 2cqx h SER 43 CO -0.64 -0.26 -0.85 0.50 -0.53 0.00 0.00 176.83 175.05 2cqx h LYS 44 N 0.11 0.15 -0.41 2.24 3.64 -0.67 0.86 116.57 122.49 2cqx h LYS 44 Ca 0.61 -0.26 0.07 0.00 -1.27 0.00 0.00 60.65 59.81 2cqx h LYS 44 Cb 1.32 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 33.14 2cqx h LYS 44 CO -0.76 1.12 -0.41 0.37 -2.27 0.00 0.00 179.45 177.51 2cqx h GLN 45 N -0.63 -0.29 -0.71 1.90 4.15 -0.44 0.03 115.11 119.11 2cqx h GLN 45 Ca -0.19 0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.09 2cqx h GLN 45 Cb 1.45 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 29.11 2cqx h GLN 45 CO 0.02 -0.20 0.21 1.28 -1.93 0.00 0.00 178.83 178.21 2cqx n LEU 46 N -5.42 6.05 -4.15 -2.39 4.77 0.57 -4.92 117.00 111.51 2cqx n LEU 46 Ca -0.00 -3.13 -0.34 0.00 -0.03 0.00 0.00 56.01 52.51 2cqx n LEU 46 Cb 0.35 -0.74 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2cqx n LEU 46 CO 0.04 0.76 -0.25 -0.67 -1.33 0.00 0.00 177.39 175.95 2cqx n ASP 47 N 0.07 -0.70 -4.36 -1.43 2.03 -0.01 -4.89 116.55 107.26 2cqx n ASP 47 Ca 0.38 -1.11 -0.23 0.00 0.52 0.00 0.00 54.79 54.35 2cqx n ASP 47 Cb 1.35 -1.41 -0.01 0.00 -0.72 0.00 0.00 41.12 40.34 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 -3.83 -0.46 -4.42 -0.67 7.02 0.29 -4.96 117.44 110.42 2cqx n TRP 48 Ca -0.04 -1.98 -0.33 0.00 -1.02 0.00 0.00 57.50 54.13 2cqx n TRP 48 Cb 0.48 -0.36 -0.10 0.00 -2.42 0.00 0.00 31.31 28.91 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 -3.65 4.80 0.51 -0.99 0.01 -1.26 -4.44 113.70 108.67 2cqx s SER 49 Ca 0.22 -0.08 0.33 0.00 1.31 0.00 0.00 55.95 57.73 2cqx s SER 49 Cb -0.02 -1.18 1.46 0.00 0.21 0.00 0.00 66.02 66.50 2cqx s SER 49 CO 0.14 0.29 1.79 1.62 0.41 0.00 0.00 173.24 177.50 2cqx h VAL 50 N 3.75 0.42 0.11 3.43 3.04 -1.94 0.14 116.25 125.21 2cqx h VAL 50 Ca -0.49 -0.03 -0.17 0.00 -1.01 0.00 0.00 66.70 65.01 2cqx h VAL 50 Cb 1.17 0.34 0.01 0.00 -2.01 0.00 0.00 31.29 30.80 2cqx h VAL 50 CO 0.55 0.01 -0.76 0.03 -1.01 0.00 0.00 177.57 176.39 2cqx h ARG 51 N 0.08 0.24 -0.13 4.17 3.08 -1.98 -3.06 114.38 116.77 2cqx h ARG 51 Ca 0.58 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 60.23 2cqx h ARG 51 Cb 2.13 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 32.31 2cqx h ARG 51 CO -0.07 1.20 0.03 -0.22 -1.07 0.00 0.00 179.97 179.83 2cqx h LYS 52 N -0.48 0.09 0.21 0.04 3.64 -1.27 -3.00 116.57 115.80 2cqx h LYS 52 Ca -0.14 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2cqx h LYS 52 Cb 1.55 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.33 2cqx h LYS 52 CO 0.11 0.06 -0.22 0.82 -2.27 0.00 0.00 179.45 177.94 2cqx h ILE 53 N 0.09 0.51 -0.96 2.00 2.04 -0.99 -2.46 117.51 117.75 2cqx h ILE 53 Ca 0.06 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.23 2cqx h ILE 53 Cb 0.04 0.51 -0.18 0.00 -0.74 0.00 0.00 36.82 36.46 2cqx h ILE 53 CO -0.07 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.28 2cqx n GLN 54 N -5.35 -0.07 -0.29 2.37 1.13 -1.14 0.17 117.38 114.20 2cqx n GLN 54 Ca -0.08 1.39 -0.01 0.00 -1.94 0.00 0.00 57.00 56.36 2cqx n GLN 54 Cb 0.26 -2.31 0.12 0.00 0.11 0.00 0.00 30.24 28.41 2cqx n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2cqx h TRP 56 N 0.95 -0.11 -0.21 0.00 7.01 0.17 -1.18 115.95 122.58 2cqx h TRP 56 Ca 0.34 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.39 2cqx h TRP 56 Cb 0.10 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 2cqx h TRP 56 CO -0.04 -0.07 -0.08 0.74 -2.79 0.00 0.00 178.44 176.20 2cqx h PHE 57 N -0.08 -0.19 -0.54 2.65 0.04 -1.07 0.14 116.94 117.89 2cqx h PHE 57 Ca 0.02 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.88 2cqx h PHE 57 Cb 0.10 0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.31 2cqx h PHE 57 CO -0.12 -0.13 0.24 0.00 -0.60 0.00 0.00 178.31 177.69 2cqx h ARG 58 N -0.05 0.44 0.06 1.51 3.08 -1.17 -2.62 114.38 115.64 2cqx h ARG 58 Ca 0.11 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2cqx h ARG 58 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2cqx h ARG 58 CO -0.24 0.29 -0.03 1.25 -1.07 0.00 0.00 179.97 180.17 2cqx h HIS 59 N 0.45 -0.08 -0.97 3.04 2.76 -0.62 -3.19 115.15 116.54 2cqx h HIS 59 Ca 0.25 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.52 2cqx h HIS 59 Cb 0.23 0.03 -0.12 0.00 1.55 0.00 0.00 27.41 29.09 2cqx h HIS 59 CO -0.13 0.10 -0.57 -0.09 -1.30 0.00 0.00 177.93 175.94 2cqx h ARG 60 N -0.24 -0.02 -0.92 5.26 9.65 -0.38 0.13 114.38 127.87 2cqx h ARG 60 Ca -0.01 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 59.02 2cqx h ARG 60 Cb 0.21 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 28.64 2cqx h ARG 60 CO 0.01 -0.01 -0.38 0.00 2.80 0.00 0.00 179.97 182.39 2cqx h ARG 61 N -0.02 -0.03 -0.58 0.20 3.08 -1.50 0.50 114.38 116.03 2cqx h ARG 61 Ca 0.18 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.31 2cqx h ARG 61 Cb 0.44 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 2cqx h ARG 61 CO -0.93 -0.02 0.24 -0.91 -1.07 0.00 0.00 179.97 177.28 2cqx h ASN 62 N -0.03 0.28 -0.72 7.04 2.35 -0.83 -1.27 115.58 122.39 2cqx h ASN 62 Ca 0.32 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 56.09 2cqx h ASN 62 Cb 0.59 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 2cqx h ASN 62 CO -0.93 0.18 0.30 -0.61 -1.65 0.00 0.00 177.43 174.72 2cqx h GLN 63 N 0.45 1.08 -0.81 0.81 5.75 0.76 -2.66 115.11 120.49 2cqx h GLN 63 Ca 0.28 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 2cqx h GLN 63 Cb 0.30 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 2cqx h GLN 63 CO -0.26 0.87 0.44 -0.44 -2.65 0.00 0.00 178.83 176.79 2cqx h ASP 64 N 1.06 1.02 -3.89 -0.69 5.19 0.59 -3.42 116.42 116.28 2cqx h ASP 64 Ca 0.25 -0.10 -0.48 0.00 -0.62 0.00 0.00 57.03 56.08 2cqx h ASP 64 Cb 0.18 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 2cqx h ASP 64 CO -0.02 0.83 0.39 -0.54 -3.12 0.00 0.00 179.24 176.77 2cqx s LYS 65 N -5.82 4.47 0.37 3.56 1.02 -0.62 -4.96 119.74 117.75 2cqx s LYS 65 Ca -0.13 1.47 0.16 0.00 0.02 0.00 0.00 55.97 57.48 2cqx s LYS 65 Cb 0.16 -2.80 0.70 0.00 -0.52 0.00 0.00 37.83 35.36 2cqx s LYS 65 CO 0.81 0.15 1.77 -1.00 -0.92 0.00 0.00 175.35 176.17 2cqx h PRO 66 N 3.11 0.00 -6.36 -1.68 0.13 -1.83 -3.43 132.00 121.93 2cqx h PRO 66 Ca -0.47 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 2cqx h PRO 66 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2cqx h PRO 66 CO 0.65 0.40 0.68 -1.54 -0.23 0.00 0.00 178.00 177.96 2cqx s SER 67 N -6.68 7.03 -0.33 1.44 1.04 -1.26 -4.94 113.70 110.00 2cqx s SER 67 Ca -0.02 1.90 -0.08 0.00 0.48 0.00 0.00 55.95 58.23 2cqx s SER 67 Cb 0.13 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.89 2cqx s SER 67 CO 0.71 -0.57 1.11 -0.83 0.98 0.00 0.00 173.24 174.63 2cqx s GLY 68 N 1.43 -1.88 -0.48 7.32 0.00 -1.26 -4.93 107.32 107.52 2cqx s GLY 68 Ca 0.58 0.77 -0.28 0.00 0.00 0.00 0.00 44.72 45.79 2cqx s GLY 68 CO 0.24 4.34 1.78 2.56 0.00 0.00 0.00 173.10 182.02 2cqx s PRO 69 N 1.17 3.03 -1.65 2.90 0.04 -1.26 -3.74 135.00 135.49 2cqx s PRO 69 Ca 0.22 0.97 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 2cqx s PRO 69 Cb 0.11 -4.27 0.20 0.00 0.04 0.00 0.00 34.50 30.59 2cqx s PRO 69 CO -0.12 -2.24 0.50 -1.13 0.04 0.00 0.00 177.00 174.06 2cqx n SER 70 N 11.27 -1.50 -0.03 6.66 3.41 -1.26 -4.73 113.62 127.44 2cqx n SER 70 Ca 0.21 -1.10 -0.08 0.00 -0.26 0.00 0.00 58.87 57.64 2cqx n SER 70 Cb 0.49 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.01 2cqx n SER 70 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cqx n SER 71 N -2.10 0.75 0.00 4.04 2.88 -1.25 -5.33 113.62 112.62 2cqx n SER 71 Ca 0.09 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2cqx n SER 71 Cb 0.41 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2cqx n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42