#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 -7.16 1.61 0.02 -2.12 -3.47 113.55 102.42 2cqx h SER 2 Ca 0.00 -0.34 -0.62 0.00 -0.84 0.00 0.00 61.79 59.98 2cqx h SER 2 Cb 0.00 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 62.20 2cqx h SER 2 CO 0.00 1.17 -0.92 -1.54 -1.14 0.00 0.00 176.83 174.39 2cqx n SER 3 N -4.52 -1.18 -2.98 3.07 3.41 -1.26 -4.80 113.62 105.36 2cqx n SER 3 Ca -0.21 -1.25 -0.38 0.00 -0.26 0.00 0.00 58.87 56.78 2cqx n SER 3 Cb 0.50 -1.64 0.02 0.00 -0.26 0.00 0.00 64.21 62.82 2cqx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqx n GLY 4 N -1.45 5.38 3.81 5.00 0.00 -1.26 -4.97 105.19 111.70 2cqx n GLY 4 Ca 0.01 -2.36 -0.31 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.77 5.74 -0.59 1.61 1.04 -1.26 -5.08 113.70 114.40 2cqx s SER 5 Ca 0.51 0.06 -0.14 0.00 0.48 0.00 0.00 55.95 56.87 2cqx s SER 5 Cb 0.38 -1.61 0.15 0.00 0.10 0.00 0.00 66.02 65.04 2cqx s SER 5 CO -0.32 0.17 0.53 -0.94 0.98 0.00 0.00 173.24 173.66 2cqx s SER 6 N -2.42 6.19 0.00 7.02 1.04 -1.26 -4.86 113.70 119.40 2cqx s SER 6 Ca 0.31 -2.06 0.00 0.00 0.48 0.00 0.00 55.95 54.68 2cqx s SER 6 Cb -0.12 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2cqx s SER 6 CO 0.24 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2cqx n GLY 7 N 4.83 -0.51 3.24 7.32 0.00 -1.26 -5.17 105.19 113.64 2cqx n GLY 7 Ca -0.06 0.59 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 2cqx n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cqx s GLY 8 N 0.00 1.16 0.00 -0.02 0.00 -1.26 -5.05 107.32 102.14 2cqx s GLY 8 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.17 2cqx s GLY 8 CO 0.00 -1.55 0.00 0.29 0.00 0.00 0.00 173.10 171.84 2cqx n ILE 9 N -0.22 0.00 -4.67 0.90 -5.35 -1.26 -5.02 119.36 103.73 2cqx n ILE 9 Ca -0.08 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.07 2cqx n ILE 9 Cb 0.62 -0.66 -0.16 0.00 -1.74 0.00 0.00 39.64 37.71 2cqx n ILE 9 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2cqx s LYS 10 N -1.87 3.16 -0.13 6.28 -0.14 -1.26 -5.02 119.74 120.75 2cqx s LYS 10 Ca 0.00 -0.79 -0.21 0.00 -1.36 0.00 0.00 55.97 53.61 2cqx s LYS 10 Cb 0.00 -2.54 -0.19 0.00 -1.68 0.00 0.00 37.83 33.42 2cqx s LYS 10 CO 0.00 0.05 0.53 0.38 -0.76 0.00 0.00 175.35 175.54 2cqx h ASP 11 N 7.17 0.00 -4.29 2.83 2.03 -2.02 -3.47 116.42 118.67 2cqx h ASP 11 Ca -0.30 -0.70 -0.51 0.00 -0.73 0.00 0.00 57.03 54.79 2cqx h ASP 11 Cb 1.20 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.44 2cqx h ASP 11 CO 0.55 0.90 -0.82 -0.94 -1.03 0.00 0.00 179.24 177.91 2cqx s SER 12 N -6.09 2.02 0.00 4.15 1.04 -1.26 -5.01 113.70 108.55 2cqx s SER 12 Ca -0.15 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 55.87 2cqx s SER 12 Cb -0.02 -0.16 0.19 0.00 0.10 0.00 0.00 66.02 66.13 2cqx s SER 12 CO 0.50 0.12 0.67 -0.81 0.98 0.00 0.00 173.24 174.70 2cqx n PRO 13 N 2.04 0.49 -1.29 4.02 -0.04 -1.26 -4.88 135.00 134.08 2cqx n PRO 13 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 2cqx n PRO 13 Cb 0.54 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.88 2cqx n PRO 13 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2cqx n VAL 14 N -0.60 1.20 0.11 0.52 0.24 -1.26 -4.89 118.33 113.65 2cqx n VAL 14 Ca 0.02 -0.48 -0.23 0.00 -2.04 0.00 0.00 64.34 61.61 2cqx n VAL 14 Cb 0.01 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.24 2cqx n VAL 14 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2cqx h ASN 15 N 0.60 0.84 -1.85 -1.34 4.21 -2.06 -3.43 115.58 112.56 2cqx h ASN 15 Ca -0.31 -0.87 -0.50 0.00 1.21 0.00 0.00 56.30 55.82 2cqx h ASN 15 Cb 1.38 -0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 38.31 2cqx h ASN 15 CO 0.49 1.64 1.53 -0.54 -1.29 0.00 0.00 177.43 179.26 2cqx s LYS 16 N -2.80 2.49 0.21 0.81 1.02 -1.26 -4.84 119.74 115.38 2cqx s LYS 16 Ca -0.10 1.38 -0.10 0.00 0.02 0.00 0.00 55.97 57.18 2cqx s LYS 16 Cb 0.05 -4.48 0.28 0.00 -0.52 0.00 0.00 37.83 33.16 2cqx s LYS 16 CO 0.93 -2.84 1.70 -0.39 -0.92 0.00 0.00 175.35 173.84 2cqx h VAL 17 N 7.37 0.64 -1.83 3.17 -1.51 -2.00 -3.46 116.25 118.63 2cqx h VAL 17 Ca -0.28 -0.08 0.21 0.00 -1.23 0.00 0.00 66.70 65.31 2cqx h VAL 17 Cb 1.23 0.37 -0.16 0.00 -2.13 0.00 0.00 31.29 30.60 2cqx h VAL 17 CO 1.12 0.04 0.68 -1.61 -1.23 0.00 0.00 177.57 176.57 2cqx s GLU 18 N -6.11 0.57 0.00 5.19 2.02 -1.26 -5.00 118.70 114.10 2cqx s GLU 18 Ca -0.13 -0.23 0.09 0.00 0.02 0.00 0.00 54.97 54.72 2cqx s GLU 18 Cb 0.18 0.25 0.56 0.00 0.10 0.00 0.00 34.13 35.21 2cqx s GLU 18 CO 0.74 -0.25 1.00 -0.35 0.02 0.00 0.00 175.26 176.41 2cqx n PRO 19 N -0.22 0.49 -0.20 0.39 -0.04 -1.26 -3.31 135.00 130.84 2cqx n PRO 19 Ca -0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.40 2cqx n PRO 19 Cb 0.60 -1.30 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 -0.80 2.47 -0.33 3.54 5.03 -1.26 -4.42 115.26 119.50 2cqx n ASN 20 Ca 0.07 -2.24 0.24 0.00 0.87 0.00 0.00 54.58 53.52 2cqx n ASN 20 Cb 0.03 -0.55 0.47 0.00 -1.02 0.00 0.00 39.78 38.71 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 0.34 -1.32 6.41 2.03 -2.01 0.12 116.42 122.51 2cqx h ASP 21 Ca 0.06 0.21 0.41 0.00 -0.73 0.00 0.00 57.03 56.98 2cqx h ASP 21 Cb 1.05 0.21 -0.08 0.00 -0.83 0.00 0.00 39.33 39.68 2cqx h ASP 21 CO 0.15 -0.23 0.92 0.41 -1.03 0.00 0.00 179.24 179.46 2cqx n THR 22 N -5.15 -0.07 -0.04 1.15 -1.04 -1.26 0.24 114.28 108.10 2cqx n THR 22 Ca 0.32 1.21 -0.13 0.00 -2.04 0.00 0.00 64.05 63.41 2cqx n THR 22 Cb 1.01 -2.01 -0.08 0.00 -1.82 0.00 0.00 70.33 67.43 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 0.25 -0.96 -4.42 4.07 -1.13 -3.16 115.31 109.95 2cqx h LEU 23 Ca 0.69 -0.49 0.37 0.00 0.08 0.00 0.00 57.88 58.54 2cqx h LEU 23 Cb 2.58 -0.07 -0.17 0.00 1.08 0.00 0.00 40.66 44.08 2cqx h LEU 23 CO -0.14 0.69 0.41 1.21 -1.08 0.00 0.00 178.44 179.53 2cqx n GLU 24 N -4.66 -0.06 0.06 1.13 2.13 0.65 -0.21 120.64 119.68 2cqx n GLU 24 Ca -0.07 1.35 -0.02 0.00 0.66 0.00 0.00 57.16 59.08 2cqx n GLU 24 Cb 0.33 -2.36 -0.01 0.00 0.27 0.00 0.00 31.44 29.66 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 -0.15 -1.15 5.31 3.64 -1.56 -3.20 116.57 119.46 2cqx h LYS 25 Ca 0.77 0.01 0.37 0.00 -1.27 0.00 0.00 60.65 60.52 2cqx h LYS 25 Cb 1.96 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 33.68 2cqx h LYS 25 CO -0.78 -0.10 0.71 -0.24 -2.27 0.00 0.00 179.45 176.77 2cqx h VAL 26 N -0.22 0.25 -0.63 2.00 3.04 -1.23 0.83 116.25 120.29 2cqx h VAL 26 Ca -0.02 -0.07 0.12 0.00 -1.01 0.00 0.00 66.70 65.72 2cqx h VAL 26 Cb 0.12 0.02 -0.09 0.00 -2.01 0.00 0.00 31.29 29.32 2cqx h VAL 26 CO 0.03 0.04 0.14 0.15 -1.01 0.00 0.00 177.57 176.92 2cqx h PHE 27 N 0.21 0.23 -0.36 3.17 3.04 -0.60 0.33 116.94 122.96 2cqx h PHE 27 Ca 0.75 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.74 2cqx h PHE 27 Cb 2.06 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.57 2cqx h PHE 27 CO -0.01 -0.03 0.00 1.55 -2.02 0.00 0.00 178.31 177.80 2cqx n VAL 28 N -5.13 0.70 -0.12 1.41 3.14 0.12 -0.25 118.33 118.20 2cqx n VAL 28 Ca 0.10 -0.85 -0.25 0.00 -2.96 0.00 0.00 64.34 60.37 2cqx n VAL 28 Cb 0.35 0.75 -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 0.95 1.82 -0.08 6.55 2.88 0.25 -4.85 113.62 121.14 2cqx n SER 29 Ca 0.15 0.24 -0.15 0.00 -1.33 0.00 0.00 58.87 57.78 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 0.85 -3.62 2.46 0.24 0.11 -5.00 118.33 109.38 2cqx n VAL 30 Ca -0.48 -0.25 -0.07 0.00 -2.04 0.00 0.00 64.34 61.50 2cqx n VAL 30 Cb 0.86 -1.49 -0.06 0.00 -1.47 0.00 0.00 33.84 31.69 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 0.12 3.34 -1.32 -0.56 -5.04 115.64 109.89 2cqx s THR 31 Ca -0.21 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.22 2cqx s THR 31 Cb 0.07 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.87 2cqx s THR 31 CO 0.30 0.00 1.29 0.11 -2.21 0.00 0.00 174.62 174.11 2cqx h LYS 32 N 3.24 0.42 -3.29 7.08 1.57 -0.87 -3.30 116.57 121.43 2cqx h LYS 32 Ca -0.23 -0.46 -0.68 0.00 -1.87 0.00 0.00 60.65 57.41 2cqx h LYS 32 Cb 1.18 0.13 -0.37 0.00 0.08 0.00 0.00 32.23 33.25 2cqx h LYS 32 CO 0.19 1.12 -0.26 0.71 -0.57 0.00 0.00 179.45 180.65 2cqx s TYR 33 N -3.25 3.74 0.86 -1.35 1.51 -1.26 -4.90 117.35 112.71 2cqx s TYR 33 Ca -0.06 -3.08 -0.11 0.00 -1.01 0.00 0.00 57.07 52.81 2cqx s TYR 33 Cb 0.09 -3.10 0.11 0.00 -0.11 0.00 0.00 41.96 38.95 2cqx s TYR 33 CO 0.87 -0.70 1.09 -1.25 -1.11 0.00 0.00 175.55 174.45 2cqx s PRO 34 N -1.20 1.56 0.44 -1.71 0.04 -1.26 -5.08 135.00 127.78 2cqx s PRO 34 Ca 0.25 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.24 2cqx s PRO 34 Cb -0.09 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2cqx s PRO 34 CO -0.12 -2.06 0.06 -0.51 0.04 0.00 0.00 177.00 174.41 2cqx s ASP 35 N -3.42 3.37 0.15 6.66 1.11 -1.26 -4.97 116.67 118.31 2cqx s ASP 35 Ca 0.63 -1.61 -0.18 0.00 0.18 0.00 0.00 52.55 51.57 2cqx s ASP 35 Cb -0.18 0.37 0.07 0.00 1.07 0.00 0.00 42.92 44.26 2cqx s ASP 35 CO 0.57 -0.83 1.15 1.21 1.18 0.00 0.00 175.17 178.45 2cqx n GLU 36 N -1.03 -0.25 -0.36 8.23 2.13 -1.26 0.70 120.64 128.80 2cqx n GLU 36 Ca -0.11 1.13 0.02 0.00 0.66 0.00 0.00 57.16 58.86 2cqx n GLU 36 Cb 0.66 -1.67 0.08 0.00 0.27 0.00 0.00 31.44 30.77 2cqx n GLU 36 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2cqx n LYS 37 N -5.01 -0.17 0.31 5.31 4.76 -1.26 -0.24 118.16 121.86 2cqx n LYS 37 Ca 0.05 1.49 -0.16 0.00 -2.87 0.00 0.00 58.31 56.81 2cqx n LYS 37 Cb 0.25 -2.21 -0.08 0.00 -1.84 0.00 0.00 35.03 31.14 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 -0.76 -0.61 1.97 9.65 -0.11 -3.17 114.38 121.36 2cqx h ARG 38 Ca 0.38 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.43 2cqx h ARG 38 Cb 0.62 0.17 -0.12 0.00 -1.39 0.00 0.00 29.97 29.26 2cqx h ARG 38 CO -0.97 -0.46 -0.30 -0.07 2.80 0.00 0.00 179.97 180.97 2cqx h LEU 39 N -0.91 -1.05 -0.75 3.80 -0.00 -0.21 -0.71 115.31 115.47 2cqx h LEU 39 Ca -0.08 0.22 0.13 0.00 -0.00 0.00 0.00 57.88 58.16 2cqx h LEU 39 Cb 0.65 0.54 -0.13 0.00 -0.00 0.00 0.00 40.66 41.72 2cqx h LEU 39 CO 0.13 -0.29 -0.23 0.29 -0.00 0.00 0.00 178.44 178.34 2cqx n LYS 40 N -5.44 -0.12 0.10 1.13 5.02 0.67 -0.28 118.16 119.24 2cqx n LYS 40 Ca 0.05 1.16 -0.04 0.00 -2.02 0.00 0.00 58.31 57.46 2cqx n LYS 40 Cb 0.36 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 2cqx n LYS 40 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2cqx h GLY 41 N 0.00 -0.25 -0.81 0.72 0.00 -1.19 -3.16 103.07 98.38 2cqx h GLY 41 Ca 0.31 0.09 0.24 0.00 0.00 0.00 0.00 47.33 47.98 2cqx h GLY 41 CO -0.76 -0.09 -0.00 1.41 0.00 0.00 0.00 176.54 177.10 2cqx h LEU 42 N -0.25 -0.49 -0.89 3.11 3.38 -1.12 0.34 115.31 119.40 2cqx h LEU 42 Ca -0.02 0.26 0.35 0.00 0.09 0.00 0.00 57.88 58.56 2cqx h LEU 42 Cb 0.19 0.46 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 2cqx h LEU 42 CO 0.04 -0.30 0.52 -0.24 0.09 0.00 0.00 178.44 178.54 2cqx n SER 43 N -5.46 0.25 -0.00 -0.43 2.88 0.61 0.96 113.62 112.42 2cqx n SER 43 Ca 0.20 1.26 -0.22 0.00 -1.33 0.00 0.00 58.87 58.78 2cqx n SER 43 Cb 0.66 -0.62 -0.14 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.23 -0.15 -1.46 3.64 -0.42 0.29 116.57 118.71 2cqx h LYS 44 Ca 0.69 -0.40 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 2cqx h LYS 44 Cb 1.95 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 33.85 2cqx h LYS 44 CO -0.54 1.19 -0.32 0.37 -2.27 0.00 0.00 179.45 177.88 2cqx h GLN 45 N -0.14 -0.37 -0.58 1.90 5.75 0.10 -1.97 115.11 119.79 2cqx h GLN 45 Ca -0.39 0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 57.99 2cqx h GLN 45 Cb 1.89 0.08 -0.09 0.00 1.07 0.00 0.00 27.48 30.44 2cqx h GLN 45 CO 0.05 -0.25 0.15 1.28 -2.65 0.00 0.00 178.83 177.41 2cqx n LEU 46 N -5.41 5.41 -4.45 -2.39 4.77 0.27 -4.93 117.00 110.27 2cqx n LEU 46 Ca -0.03 -3.22 -0.41 0.00 -0.03 0.00 0.00 56.01 52.32 2cqx n LEU 46 Cb 0.33 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 2cqx n LEU 46 CO 0.15 0.81 -0.15 -0.67 -1.33 0.00 0.00 177.39 176.20 2cqx n ASP 47 N -0.26 -1.79 -3.91 -1.43 2.03 -0.74 -4.90 116.55 105.56 2cqx n ASP 47 Ca 0.35 -1.18 -0.15 0.00 0.52 0.00 0.00 54.79 54.33 2cqx n ASP 47 Cb 1.23 -1.57 0.02 0.00 -0.72 0.00 0.00 41.12 40.09 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 -3.97 -1.73 -4.31 -0.67 7.02 0.99 -4.95 117.44 109.81 2cqx n TRP 48 Ca 0.11 -1.47 -0.32 0.00 -1.02 0.00 0.00 57.50 54.81 2cqx n TRP 48 Cb 0.45 -0.33 -0.09 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 -3.25 4.87 0.53 -0.99 0.01 -1.26 -4.41 113.70 109.21 2cqx s SER 49 Ca 0.31 -0.12 0.36 0.00 1.31 0.00 0.00 55.95 57.81 2cqx s SER 49 Cb -0.02 -1.18 1.53 0.00 0.21 0.00 0.00 66.02 66.55 2cqx s SER 49 CO 0.19 0.25 1.80 1.62 0.41 0.00 0.00 173.24 177.52 2cqx h VAL 50 N 3.46 0.40 0.11 3.43 3.04 -1.94 0.12 116.25 124.89 2cqx h VAL 50 Ca -0.48 -0.01 -0.23 0.00 -1.01 0.00 0.00 66.70 64.96 2cqx h VAL 50 Cb 1.17 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2cqx h VAL 50 CO 0.56 0.00 -1.16 0.08 -1.01 0.00 0.00 177.57 176.05 2cqx h ARG 51 N 0.02 0.24 -0.07 4.17 0.11 -1.99 -3.20 114.38 113.67 2cqx h ARG 51 Ca 0.57 -0.41 0.02 0.00 0.10 0.00 0.00 59.98 60.26 2cqx h ARG 51 Cb 2.25 0.15 -0.02 0.00 1.11 0.00 0.00 29.97 33.46 2cqx h ARG 51 CO -0.03 1.20 -0.06 -0.22 0.10 0.00 0.00 179.97 180.96 2cqx h LYS 52 N -0.39 -0.08 -0.17 0.08 3.64 -1.26 -2.81 116.57 115.59 2cqx h LYS 52 Ca -0.24 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2cqx h LYS 52 Cb 1.67 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.47 2cqx h LYS 52 CO 0.07 -0.05 -0.08 0.82 -2.27 0.00 0.00 179.45 177.95 2cqx h ILE 53 N -0.08 0.75 -0.99 2.00 2.04 -1.09 -1.90 117.51 118.24 2cqx h ILE 53 Ca 0.05 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.24 2cqx h ILE 53 Cb 0.15 0.75 -0.16 0.00 -0.74 0.00 0.00 36.82 36.83 2cqx h ILE 53 CO -0.12 0.00 0.51 1.56 0.00 0.00 0.00 178.15 180.11 2cqx h GLN 54 N -0.06 0.23 -0.53 2.37 4.20 -1.49 0.50 115.11 120.34 2cqx h GLN 54 Ca 0.09 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.84 2cqx h GLN 54 Cb 0.19 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 2cqx h GLN 54 CO -0.20 0.15 0.26 0.00 -0.67 0.00 0.00 178.83 178.37 2cqx h TRP 56 N 0.51 -0.69 -0.94 0.00 7.01 -0.02 -2.29 115.95 119.53 2cqx h TRP 56 Ca 0.23 -0.01 0.20 0.00 2.11 0.00 0.00 58.89 61.43 2cqx h TRP 56 Cb 0.15 0.24 -0.11 0.00 -2.10 0.00 0.00 29.16 27.35 2cqx h TRP 56 CO -0.11 -0.41 0.51 0.74 -2.79 0.00 0.00 178.44 176.38 2cqx h PHE 57 N -0.67 0.87 0.25 2.65 0.04 -1.23 -1.06 116.94 117.79 2cqx h PHE 57 Ca -0.05 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2cqx h PHE 57 Cb 0.55 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2cqx h PHE 57 CO -0.09 0.11 -0.16 -0.09 -0.60 0.00 0.00 178.31 177.48 2cqx h ARG 58 N 0.59 -0.39 -0.64 1.51 1.12 -0.96 -2.77 114.38 112.85 2cqx h ARG 58 Ca 0.56 0.03 0.08 0.00 -1.11 0.00 0.00 59.98 59.54 2cqx h ARG 58 Cb 0.95 0.09 -0.07 0.00 -0.01 0.00 0.00 29.97 30.94 2cqx h ARG 58 CO -0.44 -0.26 0.30 1.25 -3.11 0.00 0.00 179.97 177.71 2cqx h HIS 59 N -0.41 0.54 -0.31 2.20 2.76 -0.69 -2.80 115.15 116.45 2cqx h HIS 59 Ca -0.02 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2cqx h HIS 59 Cb 0.34 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.09 2cqx h HIS 59 CO -0.09 0.20 -0.49 -0.09 -1.30 0.00 0.00 177.93 176.15 2cqx h ARG 60 N 0.54 -0.38 -0.36 5.26 9.65 -1.00 0.10 114.38 128.19 2cqx h ARG 60 Ca 0.31 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.25 2cqx h ARG 60 Cb 0.31 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.92 2cqx h ARG 60 CO -0.25 -0.25 -0.36 0.00 2.80 0.00 0.00 179.97 181.91 2cqx h ARG 61 N -0.39 -0.18 -0.84 0.20 3.08 -1.32 0.21 114.38 115.15 2cqx h ARG 61 Ca 0.06 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.31 2cqx h ARG 61 Cb 0.55 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.52 2cqx h ARG 61 CO -0.50 -0.12 0.31 -0.97 -1.07 0.00 0.00 179.97 177.62 2cqx h ASN 62 N -0.18 0.21 -0.85 7.04 -0.73 -1.37 0.23 115.58 119.93 2cqx h ASN 62 Ca 0.06 0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.38 2cqx h ASN 62 Cb 0.34 0.15 -0.04 0.00 0.27 0.00 0.00 38.32 39.05 2cqx h ASN 62 CO -0.44 -0.01 0.52 -0.61 -0.37 0.00 0.00 177.43 176.52 2cqx h GLN 63 N 0.36 1.15 -1.82 6.67 5.75 0.15 -2.52 115.11 124.85 2cqx h GLN 63 Ca 0.50 -0.10 -0.23 0.00 -0.15 0.00 0.00 58.65 58.67 2cqx h GLN 63 Cb 0.91 -0.24 -0.09 0.00 1.07 0.00 0.00 27.48 29.12 2cqx h GLN 63 CO -0.52 0.80 0.16 -3.47 -2.65 0.00 0.00 178.83 173.16 2cqx n ASP 64 N -4.37 5.94 -4.20 -0.69 2.03 0.80 -4.73 116.55 111.32 2cqx n ASP 64 Ca 0.09 -2.79 -0.40 0.00 0.52 0.00 0.00 54.79 52.21 2cqx n ASP 64 Cb 0.06 -1.16 -0.05 0.00 -0.72 0.00 0.00 41.12 39.25 2cqx n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2cqx s LYS 65 N -0.81 3.39 -0.74 -0.67 2.20 -0.95 -4.98 119.74 117.18 2cqx s LYS 65 Ca 0.31 -2.96 -0.26 0.00 -0.36 0.00 0.00 55.97 52.71 2cqx s LYS 65 Cb 0.20 -4.13 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 2cqx s LYS 65 CO -0.04 -1.25 1.90 -1.25 -0.36 0.00 0.00 175.35 174.36 2cqx s PRO 66 N -0.78 2.60 -0.30 4.03 0.04 -1.26 -4.87 135.00 134.45 2cqx s PRO 66 Ca 0.24 0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.46 2cqx s PRO 66 Cb -0.11 -4.69 0.18 0.00 0.04 0.00 0.00 34.50 29.92 2cqx s PRO 66 CO -0.09 -3.02 0.62 -1.54 0.04 0.00 0.00 177.00 173.01 2cqx s SER 67 N 8.06 -1.32 0.00 6.66 1.04 -1.26 -5.07 113.70 121.81 2cqx s SER 67 Ca 0.68 0.95 0.00 0.00 0.48 0.00 0.00 55.95 58.06 2cqx s SER 67 Cb -0.10 2.16 0.00 0.00 0.10 0.00 0.00 66.02 68.18 2cqx s SER 67 CO 0.11 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2cqx n GLY 68 N 5.43 0.02 0.00 7.32 0.00 -1.26 -4.84 105.19 111.86 2cqx n GLY 68 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.83 0.46 -2.10 1.61 -0.04 -1.26 -4.80 135.00 127.03 2cqx n PRO 69 Ca 0.00 0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 63.09 2cqx n PRO 69 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 2cqx n PRO 69 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqx s SER 70 N -2.06 6.33 -0.29 3.54 1.04 -1.26 -4.86 113.70 116.14 2cqx s SER 70 Ca 0.22 2.59 -0.42 0.00 0.48 0.00 0.00 55.95 58.82 2cqx s SER 70 Cb 0.11 -2.63 -0.17 0.00 0.10 0.00 0.00 66.02 63.42 2cqx s SER 70 CO 0.19 -0.83 1.61 -0.24 0.98 0.00 0.00 173.24 174.94 2cqx n SER 71 N 0.09 1.77 0.00 7.02 2.88 -1.26 -5.15 113.62 118.97 2cqx n SER 71 Ca 0.04 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2cqx n SER 71 Cb 0.44 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 2cqx n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42