#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 -0.02 -3.18 1.61 0.87 -2.08 -3.46 113.55 107.29 2cqx h SER 2 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.97 2cqx h SER 2 Cb 0.00 0.01 -0.35 0.00 -0.44 0.00 0.00 62.40 61.61 2cqx h SER 2 CO 0.00 0.46 -0.83 -0.44 -0.53 0.00 0.00 176.83 175.48 2cqx s SER 3 N -5.42 2.58 0.00 6.23 0.01 -1.26 -4.94 113.70 110.91 2cqx s SER 3 Ca -0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2cqx s SER 3 Cb 0.00 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 65.09 2cqx s SER 3 CO 0.01 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2cqx n GLY 4 N 4.54 -2.19 3.85 3.44 0.00 -1.26 -5.03 105.19 108.54 2cqx n GLY 4 Ca -0.18 0.71 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.35 -3.22 -3.83 1.61 2.88 -1.26 -4.96 113.62 103.49 2cqx n SER 5 Ca 0.00 -0.81 -0.09 0.00 -1.33 0.00 0.00 58.87 56.63 2cqx n SER 5 Cb 0.00 -3.87 -0.05 0.00 -0.75 0.00 0.00 64.21 59.55 2cqx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqx s SER 6 N -3.75 -0.17 0.00 -3.46 0.15 -1.26 -5.02 113.70 100.20 2cqx s SER 6 Ca 0.39 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2cqx s SER 6 Cb -0.20 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2cqx s SER 6 CO 0.83 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2cqx n GLY 7 N -0.32 0.96 0.67 9.45 0.00 -1.26 -5.02 105.19 109.68 2cqx n GLY 7 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.98 0.00 -0.02 0.00 -1.26 -5.05 105.19 96.88 2cqx n GLY 8 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.77 0.00 -0.32 -0.61 3.06 -1.26 -4.77 119.36 116.22 2cqx n ILE 9 Ca 0.00 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.22 2cqx n ILE 9 Cb 0.00 -0.52 0.02 0.00 0.54 0.00 0.00 39.64 39.68 2cqx n ILE 9 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 2cqx h LYS 10 N 0.00 -0.06 -3.47 9.51 6.56 -2.05 -2.90 116.57 124.16 2cqx h LYS 10 Ca 0.00 0.00 -0.75 0.00 -1.06 0.00 0.00 60.65 58.84 2cqx h LYS 10 Cb 0.66 0.01 -0.32 0.00 -0.57 0.00 0.00 32.23 32.02 2cqx h LYS 10 CO 0.00 -0.04 0.13 -0.51 -2.06 0.00 0.00 179.45 176.97 2cqx s ASP 11 N -5.30 6.55 -0.38 0.86 1.01 -1.26 -5.03 116.67 113.12 2cqx s ASP 11 Ca -0.14 -3.55 -0.17 0.00 0.71 0.00 0.00 52.55 49.40 2cqx s ASP 11 Cb 0.18 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 42.07 2cqx s ASP 11 CO 0.70 -0.26 0.45 -0.94 0.21 0.00 0.00 175.17 175.32 2cqx s SER 12 N 0.67 6.23 0.14 0.27 1.04 -1.10 -5.05 113.70 115.91 2cqx s SER 12 Ca 0.27 -0.35 -0.31 0.00 0.48 0.00 0.00 55.95 56.04 2cqx s SER 12 Cb -0.09 -2.23 -0.08 0.00 0.10 0.00 0.00 66.02 63.71 2cqx s SER 12 CO -0.10 -0.50 1.34 -2.16 0.98 0.00 0.00 173.24 172.80 2cqx s PRO 13 N 2.22 4.36 -0.01 4.02 0.04 -1.26 -4.90 135.00 139.46 2cqx s PRO 13 Ca 0.14 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 2cqx s PRO 13 Cb -0.16 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 2cqx s PRO 13 CO 0.13 -0.35 2.43 1.55 0.04 0.00 0.00 177.00 180.81 2cqx n VAL 14 N 3.42 2.29 -0.55 -0.36 3.14 -1.26 -4.93 118.33 120.09 2cqx n VAL 14 Ca 0.09 -0.81 -0.29 0.00 -2.96 0.00 0.00 64.34 60.37 2cqx n VAL 14 Cb 0.43 -1.63 0.23 0.00 -1.06 0.00 0.00 33.84 31.81 2cqx n VAL 14 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2cqx n ASN 15 N 1.72 -1.27 -4.58 6.55 4.13 -1.26 -4.95 115.26 115.60 2cqx n ASN 15 Ca 0.12 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.98 2cqx n ASN 15 Cb 0.61 -1.30 -0.08 0.00 -1.54 0.00 0.00 39.78 37.48 2cqx n ASN 15 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2cqx s LYS 16 N -4.37 3.79 0.21 3.52 1.02 -1.26 -4.97 119.74 117.68 2cqx s LYS 16 Ca 0.67 0.04 -0.18 0.00 0.02 0.00 0.00 55.97 56.52 2cqx s LYS 16 Cb -0.24 -3.75 0.21 0.00 -0.52 0.00 0.00 37.83 33.52 2cqx s LYS 16 CO 0.64 -0.55 1.58 -0.39 -0.92 0.00 0.00 175.35 175.70 2cqx h VAL 17 N 5.55 0.12 -3.26 3.17 -1.51 -2.00 -3.44 116.25 114.88 2cqx h VAL 17 Ca -0.28 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.16 2cqx h VAL 17 Cb 1.13 0.12 -0.11 0.00 -2.13 0.00 0.00 31.29 30.30 2cqx h VAL 17 CO 0.76 0.00 0.04 -1.61 -1.23 0.00 0.00 177.57 175.53 2cqx s GLU 18 N -6.03 1.30 0.00 5.19 2.02 -1.26 -5.02 118.70 114.90 2cqx s GLU 18 Ca -0.14 -0.76 0.11 0.00 0.02 0.00 0.00 54.97 54.19 2cqx s GLU 18 Cb 0.19 0.52 0.63 0.00 0.10 0.00 0.00 34.13 35.58 2cqx s GLU 18 CO 0.71 -0.55 1.07 -0.35 0.02 0.00 0.00 175.26 176.16 2cqx n PRO 19 N -0.33 0.49 -0.44 0.39 -0.04 -1.26 -3.59 135.00 130.22 2cqx n PRO 19 Ca -0.12 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.28 2cqx n PRO 19 Cb 0.63 -1.34 0.03 0.00 -0.04 0.00 0.00 33.50 32.78 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 4.40 -0.35 3.54 5.03 -1.26 -4.42 115.26 121.36 2cqx n ASN 20 Ca 0.08 -2.48 0.08 0.00 0.87 0.00 0.00 54.58 53.13 2cqx n ASN 20 Cb 0.04 -0.82 0.26 0.00 -1.02 0.00 0.00 39.78 38.24 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 0.66 0.89 -1.60 6.41 2.03 -2.02 -1.76 116.42 121.04 2cqx h ASP 21 Ca 0.12 0.05 0.47 0.00 -0.73 0.00 0.00 57.03 56.94 2cqx h ASP 21 Cb 1.17 -0.13 -0.07 0.00 -0.83 0.00 0.00 39.33 39.48 2cqx h ASP 21 CO 0.26 0.46 1.14 0.41 -1.03 0.00 0.00 179.24 180.48 2cqx n THR 22 N -4.62 -0.02 -0.04 1.15 -1.04 -1.26 0.22 114.28 108.67 2cqx n THR 22 Ca 0.19 1.26 -0.14 0.00 -2.04 0.00 0.00 64.05 63.32 2cqx n THR 22 Cb 0.38 -2.09 -0.09 0.00 -1.82 0.00 0.00 70.33 66.72 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 0.32 -1.95 -4.42 4.07 -1.70 -3.12 115.31 108.51 2cqx h LEU 23 Ca 0.78 -0.57 0.57 0.00 0.08 0.00 0.00 57.88 58.74 2cqx h LEU 23 Cb 3.06 -0.09 -0.08 0.00 1.08 0.00 0.00 40.66 44.63 2cqx h LEU 23 CO -0.04 0.83 1.40 1.21 -1.08 0.00 0.00 178.44 180.76 2cqx n GLU 24 N -4.54 -0.00 -0.01 1.13 0.00 0.60 -0.34 120.64 117.48 2cqx n GLU 24 Ca -0.07 1.09 -0.00 0.00 0.00 0.00 0.00 57.16 58.18 2cqx n GLU 24 Cb 0.41 -2.50 -0.00 0.00 0.00 0.00 0.00 31.44 29.35 2cqx n GLU 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2cqx h LYS 25 N 0.00 0.00 -1.15 5.31 1.63 -1.57 -3.34 116.57 117.45 2cqx h LYS 25 Ca 0.94 0.00 0.36 0.00 -0.85 0.00 0.00 60.65 61.10 2cqx h LYS 25 Cb 3.74 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 35.24 2cqx h LYS 25 CO -0.04 0.00 0.72 -0.24 -3.45 0.00 0.00 179.45 176.44 2cqx h VAL 26 N -0.19 0.26 -0.63 2.00 3.04 -1.20 0.76 116.25 120.29 2cqx h VAL 26 Ca 0.00 -0.07 0.12 0.00 -1.01 0.00 0.00 66.70 65.74 2cqx h VAL 26 Cb 0.00 0.02 -0.09 0.00 -2.01 0.00 0.00 31.29 29.21 2cqx h VAL 26 CO 0.00 0.04 0.12 0.15 -1.01 0.00 0.00 177.57 176.87 2cqx h PHE 27 N 0.22 0.19 -0.36 3.17 3.04 -0.75 0.35 116.94 122.79 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 2.06 0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.59 2cqx h PHE 27 CO -0.01 -0.06 0.00 1.55 -2.02 0.00 0.00 178.31 177.78 2cqx n VAL 28 N -5.15 0.70 -0.13 1.41 3.14 0.11 -0.20 118.33 118.21 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 33.79 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 1.83 -0.07 6.55 2.88 0.22 -4.85 113.62 121.13 2cqx n SER 29 Ca 0.15 0.24 -0.13 0.00 -1.33 0.00 0.00 58.87 57.80 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 -3.99 0.79 -3.63 2.46 0.24 0.11 -5.00 118.33 109.32 2cqx n VAL 30 Ca -0.48 -0.24 -0.06 0.00 -2.04 0.00 0.00 64.34 61.52 2cqx n VAL 30 Cb 0.87 -1.41 -0.06 0.00 -1.47 0.00 0.00 33.84 31.77 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 -2.27 0.00 0.12 3.34 -1.32 -0.49 -5.04 115.64 109.97 2cqx s THR 31 Ca -0.20 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.26 2cqx s THR 31 Cb 0.07 -1.00 -0.21 0.00 -1.51 0.00 0.00 72.50 69.84 2cqx s THR 31 CO 0.28 0.00 1.26 0.11 -2.21 0.00 0.00 174.62 174.06 2cqx h LYS 32 N 3.11 0.31 -3.42 7.08 1.57 -0.82 -3.29 116.57 121.10 2cqx h LYS 32 Ca -0.22 -0.40 -0.73 0.00 -1.87 0.00 0.00 60.65 57.43 2cqx h LYS 32 Cb 1.18 0.13 -0.33 0.00 0.08 0.00 0.00 32.23 33.29 2cqx h LYS 32 CO 0.19 1.11 0.04 0.71 -0.57 0.00 0.00 179.45 180.94 2cqx s TYR 33 N -3.03 3.96 0.68 -1.35 2.02 -1.26 -4.90 117.35 113.47 2cqx s TYR 33 Ca -0.04 -2.88 -0.14 0.00 -0.37 0.00 0.00 57.07 53.64 2cqx s TYR 33 Cb 0.08 -3.42 0.01 0.00 -0.40 0.00 0.00 41.96 38.23 2cqx s TYR 33 CO 0.86 -0.81 1.11 -1.25 -1.57 0.00 0.00 175.55 173.89 2cqx s PRO 34 N -1.18 2.70 0.42 -1.71 0.04 -1.26 -5.07 135.00 128.93 2cqx s PRO 34 Ca 0.27 1.35 0.07 0.00 0.04 0.00 0.00 61.00 62.73 2cqx s PRO 34 Cb -0.09 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2cqx s PRO 34 CO -0.11 -1.33 0.12 0.34 0.04 0.00 0.00 177.00 176.07 2cqx s ASP 35 N -2.74 4.24 0.22 6.66 2.15 -1.26 -4.96 116.67 120.98 2cqx s ASP 35 Ca 0.66 -1.21 0.02 0.00 0.43 0.00 0.00 52.55 52.45 2cqx s ASP 35 Cb -0.20 -0.38 0.55 0.00 -0.30 0.00 0.00 42.92 42.59 2cqx s ASP 35 CO 0.44 -0.54 1.12 -0.62 -0.17 0.00 0.00 175.17 175.40 2cqx n GLU 36 N -1.17 -0.06 -0.12 4.34 4.71 -1.26 0.10 120.64 127.19 2cqx n GLU 36 Ca -0.03 1.07 -0.08 0.00 -0.01 0.00 0.00 57.16 58.11 2cqx n GLU 36 Cb 0.65 -1.70 -0.02 0.00 -1.01 0.00 0.00 31.44 29.37 2cqx n GLU 36 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2cqx h LYS 37 N 0.00 -0.25 0.00 3.49 1.57 -2.00 0.80 116.57 120.18 2cqx h LYS 37 Ca 0.44 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.20 2cqx h LYS 37 Cb 0.90 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 2cqx h LYS 37 CO -0.67 -0.16 -0.17 -0.09 -0.57 0.00 0.00 179.45 177.79 2cqx h ARG 38 N -0.26 0.00 0.00 3.15 9.65 0.30 -1.98 114.38 125.24 2cqx h ARG 38 Ca 0.17 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.89 2cqx h ARG 38 Cb 0.54 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 2cqx h ARG 38 CO -0.54 0.17 -0.75 -0.07 2.80 0.00 0.00 179.97 181.57 2cqx h LEU 39 N 0.00 0.00 -0.23 3.80 -0.00 0.19 -3.14 115.31 115.93 2cqx h LEU 39 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 2cqx h LEU 39 Cb 0.30 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.90 2cqx h LEU 39 CO 0.02 0.75 -0.15 0.11 -0.00 0.00 0.00 178.44 179.17 2cqx h LYS 40 N 0.00 -0.13 0.48 1.13 1.79 0.12 0.37 116.57 120.34 2cqx h LYS 40 Ca -0.01 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2cqx h LYS 40 Cb 1.42 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.11 2cqx h LYS 40 CO 0.10 -0.09 -0.23 0.78 -1.08 0.00 0.00 179.45 178.93 2cqx h GLY 41 N -0.14 -0.68 -0.74 3.86 0.00 -1.63 -3.22 103.07 100.52 2cqx h GLY 41 Ca 0.13 0.25 0.37 0.00 0.00 0.00 0.00 47.33 48.08 2cqx h GLY 41 CO -0.32 -0.25 0.70 1.41 0.00 0.00 0.00 176.54 178.08 2cqx h LEU 42 N -1.08 0.38 -1.09 3.11 3.38 -1.53 0.68 115.31 119.15 2cqx h LEU 42 Ca -0.07 0.16 0.20 0.00 0.09 0.00 0.00 57.88 58.26 2cqx h LEU 42 Cb 0.50 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 2cqx h LEU 42 CO 0.11 -0.14 0.61 -1.28 0.09 0.00 0.00 178.44 177.83 2cqx h SER 43 N 0.21 0.72 0.09 -0.43 0.87 -0.93 0.74 113.55 114.82 2cqx h SER 43 Ca 0.76 0.09 -0.29 0.00 -1.23 0.00 0.00 61.79 61.11 2cqx h SER 43 Cb 2.06 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.97 2cqx h SER 43 CO -0.49 0.24 -1.57 0.50 -0.53 0.00 0.00 176.83 174.98 2cqx h LYS 44 N 0.69 0.18 -0.44 2.24 3.64 0.20 0.43 116.57 123.51 2cqx h LYS 44 Ca 0.57 -0.31 0.09 0.00 -1.27 0.00 0.00 60.65 59.73 2cqx h LYS 44 Cb 0.99 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.84 2cqx h LYS 44 CO -0.36 1.15 -0.16 0.37 -2.27 0.00 0.00 179.45 178.18 2cqx h GLN 45 N -0.37 -0.06 -0.64 1.90 4.15 -0.64 -1.12 115.11 118.33 2cqx h GLN 45 Ca -0.36 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 58.79 2cqx h GLN 45 Cb 1.72 0.01 -0.16 0.00 0.21 0.00 0.00 27.48 29.27 2cqx h GLN 45 CO -0.01 -0.04 0.25 1.28 -1.93 0.00 0.00 178.83 178.38 2cqx n LEU 46 N -5.36 5.42 -3.64 -2.39 4.77 0.21 -4.93 117.00 111.08 2cqx n LEU 46 Ca 0.03 -3.49 -0.29 0.00 -0.03 0.00 0.00 56.01 52.22 2cqx n LEU 46 Cb 0.27 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 2cqx n LEU 46 CO 0.11 1.01 -0.11 0.47 -1.33 0.00 0.00 177.39 177.54 2cqx n ASP 47 N -0.80 -1.33 -4.08 -1.43 8.00 -0.43 -4.86 116.55 111.61 2cqx n ASP 47 Ca 0.42 -0.81 -0.17 0.00 0.71 0.00 0.00 54.79 54.94 2cqx n ASP 47 Cb 1.31 -1.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.25 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 -3.08 -1.40 -4.15 1.24 7.02 0.15 -4.96 117.44 112.25 2cqx n TRP 48 Ca 0.08 -1.64 -0.27 0.00 -1.02 0.00 0.00 57.50 54.65 2cqx n TRP 48 Cb 0.35 -0.35 -0.07 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 -3.43 5.04 0.49 -0.99 0.01 -1.26 -4.44 113.70 109.11 2cqx s SER 49 Ca 0.30 -0.28 0.20 0.00 1.31 0.00 0.00 55.95 57.49 2cqx s SER 49 Cb -0.02 -1.17 1.24 0.00 0.21 0.00 0.00 66.02 66.27 2cqx s SER 49 CO 0.19 0.10 1.98 1.62 0.41 0.00 0.00 173.24 177.54 2cqx h VAL 50 N 2.42 0.79 0.01 3.43 3.04 -1.94 -0.35 116.25 123.64 2cqx h VAL 50 Ca -0.47 -0.06 -0.09 0.00 -1.01 0.00 0.00 66.70 65.07 2cqx h VAL 50 Cb 1.19 0.59 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 2cqx h VAL 50 CO 0.60 0.03 -0.46 0.03 -1.01 0.00 0.00 177.57 176.76 2cqx h ARG 51 N 0.18 0.01 -0.64 4.17 2.47 -1.97 -3.09 114.38 115.51 2cqx h ARG 51 Ca 0.28 -0.02 0.12 0.00 -1.26 0.00 0.00 59.98 59.10 2cqx h ARG 51 Cb 0.86 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 29.10 2cqx h ARG 51 CO -0.05 1.01 0.18 -0.22 0.56 0.00 0.00 179.97 181.46 2cqx h LYS 52 N -0.97 0.31 -0.07 0.04 3.64 -1.85 -1.93 116.57 115.75 2cqx h LYS 52 Ca -0.12 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2cqx h LYS 52 Cb 1.13 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2cqx h LYS 52 CO -0.06 0.21 0.03 0.82 -2.27 0.00 0.00 179.45 178.17 2cqx h ILE 53 N 0.32 1.14 -0.87 2.00 2.04 -1.23 -3.03 117.51 117.89 2cqx h ILE 53 Ca 0.34 -0.41 0.19 0.00 1.00 0.00 0.00 64.86 65.98 2cqx h ILE 53 Cb 0.50 1.30 -0.16 0.00 -0.74 0.00 0.00 36.82 37.72 2cqx h ILE 53 CO -0.40 0.12 -0.14 1.56 0.00 0.00 0.00 178.15 179.29 2cqx h GLN 54 N -0.05 0.02 -0.87 2.37 1.08 -1.27 0.57 115.11 116.97 2cqx h GLN 54 Ca 0.02 -0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.36 2cqx h GLN 54 Cb 0.16 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.50 2cqx h GLN 54 CO -0.00 0.01 0.47 0.00 -0.95 0.00 0.00 178.83 178.36 2cqx h TRP 56 N 0.70 -0.10 -0.64 0.00 7.01 0.13 -1.49 115.95 121.55 2cqx h TRP 56 Ca 0.46 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.50 2cqx h TRP 56 Cb 0.60 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.67 2cqx h TRP 56 CO -0.07 -0.07 0.39 0.74 -2.79 0.00 0.00 178.44 176.64 2cqx h PHE 57 N -0.04 0.73 -0.85 2.65 0.04 -0.92 -0.20 116.94 118.35 2cqx h PHE 57 Ca 0.05 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.87 2cqx h PHE 57 Cb 0.11 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 37.98 2cqx h PHE 57 CO -0.15 0.41 0.56 -0.09 -0.60 0.00 0.00 178.31 178.43 2cqx h ARG 58 N 0.76 1.03 0.09 1.51 9.65 -0.88 -2.88 114.38 123.65 2cqx h ARG 58 Ca 0.26 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 59.08 2cqx h ARG 58 Cb 0.05 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 2cqx h ARG 58 CO -0.12 0.68 -0.04 1.25 2.80 0.00 0.00 179.97 184.54 2cqx h HIS 59 N 1.06 -0.11 -0.83 2.20 2.76 -0.48 -3.28 115.15 116.46 2cqx h HIS 59 Ca 0.34 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.66 2cqx h HIS 59 Cb 0.02 0.04 -0.15 0.00 1.55 0.00 0.00 27.41 28.87 2cqx h HIS 59 CO -0.00 0.39 -0.25 -2.13 -1.30 0.00 0.00 177.93 174.64 2cqx n ARG 60 N -4.89 -0.11 -0.14 5.26 3.00 -0.16 -0.17 116.66 119.45 2cqx n ARG 60 Ca -0.08 1.30 -0.14 0.00 -0.00 0.00 0.00 57.85 58.92 2cqx n ARG 60 Cb 0.27 -1.93 -0.10 0.00 0.00 0.00 0.00 32.46 30.70 2cqx n ARG 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cqx h ARG 61 N 0.00 -0.38 -0.90 -0.14 3.08 -1.60 -0.96 114.38 113.49 2cqx h ARG 61 Ca 0.36 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.59 2cqx h ARG 61 Cb 0.57 0.09 -0.15 0.00 0.08 0.00 0.00 29.97 30.56 2cqx h ARG 61 CO -0.85 -0.25 -0.32 0.09 -1.07 0.00 0.00 179.97 177.57 2cqx n ASN 62 N -5.37 -0.51 -0.07 7.04 3.02 0.77 0.60 115.26 120.74 2cqx n ASN 62 Ca -0.03 1.56 -0.07 0.00 -0.03 0.00 0.00 54.58 56.00 2cqx n ASN 62 Cb 0.34 -0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 2cqx n ASN 62 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2cqx h GLN 63 N 0.00 0.06 -0.37 3.52 7.50 -1.13 -2.44 115.11 122.25 2cqx h GLN 63 Ca 0.34 -0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.51 2cqx h GLN 63 Cb 0.57 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.06 2cqx h GLN 63 CO -0.90 0.04 0.21 0.22 -1.50 0.00 0.00 178.83 176.90 2cqx h ASP 64 N 0.06 0.34 -3.83 1.46 1.82 0.76 -3.42 116.42 113.60 2cqx h ASP 64 Ca 0.13 0.01 -0.51 0.00 -0.39 0.00 0.00 57.03 56.27 2cqx h ASP 64 Cb 0.18 -0.06 0.03 0.00 0.68 0.00 0.00 39.33 40.16 2cqx h ASP 64 CO -0.23 0.24 0.52 -0.75 -1.61 0.00 0.00 179.24 177.41 2cqx s LYS 65 N -6.16 4.53 -0.18 0.28 2.20 0.65 -4.96 119.74 116.10 2cqx s LYS 65 Ca -0.13 1.91 -0.29 0.00 -0.36 0.00 0.00 55.97 57.10 2cqx s LYS 65 Cb 0.11 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 2cqx s LYS 65 CO 0.72 0.08 1.58 -1.25 -0.36 0.00 0.00 175.35 176.12 2cqx s PRO 66 N -1.59 3.93 -0.38 4.03 0.04 -1.26 -4.84 135.00 134.93 2cqx s PRO 66 Ca 0.46 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 2cqx s PRO 66 Cb -0.34 -3.99 0.01 0.00 0.04 0.00 0.00 34.50 30.22 2cqx s PRO 66 CO 0.44 -1.13 0.76 0.45 0.04 0.00 0.00 177.00 177.56 2cqx s SER 67 N 3.77 6.50 0.00 6.66 0.15 -1.26 -4.93 113.70 124.59 2cqx s SER 67 Ca 0.70 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2cqx s SER 67 Cb -0.26 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2cqx s SER 67 CO 0.28 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2cqx n GLY 68 N 4.64 4.57 3.77 9.45 0.00 -1.26 -5.13 105.19 121.23 2cqx n GLY 68 Ca 0.02 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 2cqx n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqx s PRO 69 N -3.76 3.35 -0.45 1.61 0.04 -1.26 -4.94 135.00 129.59 2cqx s PRO 69 Ca 0.00 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 2cqx s PRO 69 Cb 0.00 -2.01 0.24 0.00 0.04 0.00 0.00 34.50 32.77 2cqx s PRO 69 CO 0.00 -0.85 2.19 0.45 0.04 0.00 0.00 177.00 178.83 2cqx n SER 70 N -1.32 6.80 -4.73 6.66 2.88 -1.26 -4.98 113.62 117.66 2cqx n SER 70 Ca 0.12 -3.29 -0.42 0.00 -1.33 0.00 0.00 58.87 53.94 2cqx n SER 70 Cb 0.51 -1.08 -0.01 0.00 -0.75 0.00 0.00 64.21 62.88 2cqx n SER 70 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cqx n SER 71 N 0.15 3.15 0.00 -3.46 3.41 -1.26 -5.35 113.62 110.25 2cqx n SER 71 Ca 0.42 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 60.24 2cqx n SER 71 Cb 0.57 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 2cqx n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49