#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxt s SER 2 N 0.00 6.80 0.10 1.61 1.04 -1.26 -4.97 113.70 117.02 1wxt s SER 2 Ca 0.00 1.83 -0.32 0.00 0.48 0.00 0.00 55.95 57.93 1wxt s SER 2 Cb 0.00 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.45 1wxt s SER 2 CO 0.00 -0.46 1.78 -0.24 0.98 0.00 0.00 173.24 175.30 1wxt n SER 3 N -0.49 3.70 -3.55 7.02 2.88 -1.26 -4.96 113.62 116.96 1wxt n SER 3 Ca 0.07 1.01 -0.01 0.00 -1.33 0.00 0.00 58.87 58.61 1wxt n SER 3 Cb 0.52 -1.49 -0.05 0.00 -0.75 0.00 0.00 64.21 62.45 1wxt n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wxt s GLY 4 N 2.45 -0.40 0.51 0.46 0.00 -1.26 -5.16 107.32 103.93 1wxt s GLY 4 Ca 0.83 2.75 -0.20 0.00 0.00 0.00 0.00 44.72 48.09 1wxt s GLY 4 CO 0.40 2.98 1.10 -0.45 0.00 0.00 0.00 173.10 177.13 1wxt s SER 5 N 2.33 5.98 0.46 1.64 0.15 -1.26 -5.05 113.70 117.95 1wxt s SER 5 Ca -0.06 2.12 0.08 0.00 0.70 0.00 0.00 55.95 58.79 1wxt s SER 5 Cb -0.08 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1wxt s SER 5 CO -0.18 -1.04 0.60 -0.44 1.20 0.00 0.00 173.24 173.38 1wxt s SER 6 N -1.78 5.42 0.00 5.45 0.01 -1.26 -5.13 113.70 116.40 1wxt s SER 6 Ca 0.70 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1wxt s SER 6 Cb -0.22 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1wxt s SER 6 CO 0.26 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1wxt n GLY 7 N -1.92 5.44 3.44 3.44 0.00 -1.26 -5.13 105.19 109.20 1wxt n GLY 7 Ca 0.09 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1wxt n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wxt s LEU 8 N 0.00 4.31 0.00 0.99 1.98 -1.26 -5.07 118.68 119.63 1wxt s LEU 8 Ca 0.00 -0.61 0.08 0.00 -2.89 0.00 0.00 54.13 50.71 1wxt s LEU 8 Cb 0.00 -2.03 -0.03 0.00 0.66 0.00 0.00 46.19 44.80 1wxt s LEU 8 CO 0.00 -0.24 -0.23 -0.54 -1.89 0.00 0.00 176.35 173.45 1wxt s LYS 9 N 1.62 2.08 0.05 1.98 1.02 -1.26 -0.01 119.74 125.22 1wxt s LYS 9 Ca 0.04 -0.95 -0.05 0.00 0.02 0.00 0.00 55.97 55.02 1wxt s LYS 9 Cb -0.18 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1wxt s LYS 9 CO 0.07 0.55 0.10 -1.64 -0.92 0.00 0.00 175.35 173.51 1wxt s MET 10 N -0.94 0.65 0.09 1.68 -1.94 -0.86 -4.54 119.30 113.43 1wxt s MET 10 Ca 0.11 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.28 1wxt s MET 10 Cb -0.10 0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.95 1wxt s MET 10 CO 0.01 -0.17 -0.03 1.14 -0.01 0.00 0.00 175.02 175.97 1wxt s GLN 11 N -3.08 2.45 0.23 2.03 -2.07 -1.03 -1.72 119.66 116.47 1wxt s GLN 11 Ca -0.01 -0.88 -0.30 0.00 -1.82 0.00 0.00 55.36 52.36 1wxt s GLN 11 Cb 0.02 -2.48 -0.09 0.00 -1.09 0.00 0.00 33.01 29.37 1wxt s GLN 11 CO -0.07 0.53 1.14 0.08 -1.32 0.00 0.00 175.29 175.66 1wxt s VAL 12 N -1.28 3.57 -0.25 3.63 1.01 -0.01 -1.96 120.40 125.11 1wxt s VAL 12 Ca 0.24 1.43 -0.07 0.00 0.00 0.00 0.00 61.98 63.59 1wxt s VAL 12 Cb -0.12 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 1wxt s VAL 12 CO 0.17 0.28 -0.28 -0.11 0.00 0.00 0.00 175.10 175.16 1wxt n LEU 13 N 1.90 2.31 -4.00 3.92 7.94 0.32 -0.74 117.00 128.66 1wxt n LEU 13 Ca 0.02 0.13 -0.29 0.00 -1.11 0.00 0.00 56.01 54.76 1wxt n LEU 13 Cb 0.45 -0.79 -0.17 0.00 0.53 0.00 0.00 43.42 43.44 1wxt n LEU 13 CO 0.55 0.69 -0.47 -0.31 -1.11 0.00 0.00 177.39 176.74 1wxt s TYR 14 N -2.48 1.90 0.06 1.96 2.02 -1.26 -4.61 117.35 114.94 1wxt s TYR 14 Ca -0.35 -0.99 -0.38 0.00 -0.37 0.00 0.00 57.07 54.99 1wxt s TYR 14 Cb 0.12 -1.43 -0.18 0.00 -0.40 0.00 0.00 41.96 40.06 1wxt s TYR 14 CO 0.50 -0.57 1.12 -1.91 -1.57 0.00 0.00 175.55 173.12 1wxt n GLU 15 N 4.64 0.45 -4.35 -0.62 0.00 -1.26 -4.67 120.64 114.84 1wxt n GLU 15 Ca -0.16 0.16 -0.20 0.00 0.00 0.00 0.00 57.16 56.96 1wxt n GLU 15 Cb 0.50 -1.67 -0.13 0.00 0.00 0.00 0.00 31.44 30.14 1wxt n GLU 15 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1wxt s PHE 16 N 0.06 1.23 -0.11 4.31 5.36 -1.07 -4.92 117.98 122.84 1wxt s PHE 16 Ca 0.86 -0.36 0.02 0.00 -0.96 0.00 0.00 56.93 56.48 1wxt s PHE 16 Cb -1.11 -0.73 -0.01 0.00 -0.34 0.00 0.00 43.02 40.82 1wxt s PHE 16 CO 0.53 0.04 -0.17 -2.00 -1.46 0.00 0.00 175.22 172.16 1wxt s GLU 17 N -1.16 3.14 -0.33 10.12 2.12 -1.26 -1.21 118.70 130.12 1wxt s GLU 17 Ca 0.01 -0.75 -0.28 0.00 0.36 0.00 0.00 54.97 54.31 1wxt s GLU 17 Cb -0.08 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 1wxt s GLU 17 CO 0.01 0.27 1.90 0.00 -0.54 0.00 0.00 175.26 176.90 1wxt s ALA 18 N 0.18 2.77 -0.50 6.30 0.00 -1.26 -4.86 121.76 124.40 1wxt s ALA 18 Ca -0.10 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1wxt s ALA 18 Cb -0.16 -4.05 0.45 0.00 0.00 0.00 0.00 23.12 19.36 1wxt s ALA 18 CO 0.06 -2.77 1.62 0.54 0.00 0.00 0.00 175.76 175.21 1wxt n ARG 19 N 8.54 3.14 -3.59 0.00 1.74 -1.26 -4.90 116.66 120.33 1wxt n ARG 19 Ca 0.24 -3.74 -0.08 0.00 -0.77 0.00 0.00 57.85 53.51 1wxt n ARG 19 Cb 0.47 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.61 1wxt n ARG 19 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1wxt s ASN 20 N -2.66 -0.36 0.29 0.55 0.01 -1.26 -5.03 114.94 106.48 1wxt s ASN 20 Ca 0.58 -0.18 0.25 0.00 -0.71 0.00 0.00 52.86 52.79 1wxt s ASN 20 Cb 0.46 0.51 1.03 0.00 0.41 0.00 0.00 41.25 43.66 1wxt s ASN 20 CO -0.01 -0.88 1.74 1.55 -1.51 0.00 0.00 177.10 177.99 1wxt h PRO 21 N 2.00 0.00 -1.63 -0.60 0.13 -2.04 -3.16 132.00 126.70 1wxt h PRO 21 Ca -0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.31 1wxt h PRO 21 Cb 1.26 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.97 1wxt h PRO 21 CO 0.30 0.00 -0.76 2.89 -0.23 0.00 0.00 178.00 180.20 1wxt n ARG 22 N -2.32 3.16 -4.17 0.86 1.85 -1.26 -5.05 116.66 109.74 1wxt n ARG 22 Ca 0.02 -4.45 -0.13 0.00 -1.00 0.00 0.00 57.85 52.29 1wxt n ARG 22 Cb 0.23 -2.16 -0.08 0.00 -1.05 0.00 0.00 32.46 29.41 1wxt n ARG 22 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1wxt s GLU 23 N -3.47 1.43 -0.04 2.89 2.02 -1.20 -3.01 118.70 117.31 1wxt s GLU 23 Ca 0.46 -1.64 -0.03 0.00 0.02 0.00 0.00 54.97 53.78 1wxt s GLU 23 Cb 0.38 0.33 0.02 0.00 0.10 0.00 0.00 34.13 34.96 1wxt s GLU 23 CO -0.16 -0.52 0.11 -1.17 0.02 0.00 0.00 175.26 173.54 1wxt s LEU 24 N -3.18 1.32 0.46 1.80 2.96 -1.26 -4.68 118.68 116.11 1wxt s LEU 24 Ca 0.35 0.22 -0.22 0.00 -0.22 0.00 0.00 54.13 54.26 1wxt s LEU 24 Cb 0.04 0.31 -0.08 0.00 0.50 0.00 0.00 46.19 46.96 1wxt s LEU 24 CO 0.15 -0.07 1.08 -0.89 -1.32 0.00 0.00 176.35 175.29 1wxt s THR 25 N 0.46 3.55 0.28 3.68 2.01 -1.26 -4.18 115.64 120.18 1wxt s THR 25 Ca -0.03 1.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.91 1wxt s THR 25 Cb -0.05 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1wxt s THR 25 CO -0.02 -0.11 0.51 0.68 -0.69 0.00 0.00 174.62 174.99 1wxt s VAL 26 N -1.78 0.00 0.08 3.82 -7.23 -0.35 -4.94 120.40 110.00 1wxt s VAL 26 Ca 0.65 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.44 1wxt s VAL 26 Cb -0.21 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1wxt s VAL 26 CO 0.26 0.00 -0.07 0.68 -0.31 0.00 0.00 175.10 175.66 1wxt s VAL 27 N -3.70 0.60 0.54 1.32 -7.23 -1.26 -2.59 120.40 108.08 1wxt s VAL 27 Ca 0.23 -1.64 -0.22 0.00 -1.81 0.00 0.00 61.98 58.54 1wxt s VAL 27 Cb -0.01 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 1wxt s VAL 27 CO 0.11 -0.72 1.36 -1.58 -0.31 0.00 0.00 175.10 173.96 1wxt s GLN 28 N -3.08 3.19 0.00 4.82 -0.44 -1.26 -2.56 119.66 120.33 1wxt s GLN 28 Ca 0.04 2.24 0.00 0.00 -2.50 0.00 0.00 55.36 55.14 1wxt s GLN 28 Cb 0.00 -2.29 0.00 0.00 -1.64 0.00 0.00 33.01 29.08 1wxt s GLN 28 CO -0.03 -1.15 0.00 0.41 0.50 0.00 0.00 175.29 175.01 1wxt n GLY 29 N 0.71 1.53 3.61 2.59 0.00 0.08 -4.96 105.19 108.75 1wxt n GLY 29 Ca 0.10 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1wxt n GLY 29 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wxt n GLU 30 N 0.00 1.39 -3.99 1.61 2.13 -1.06 -4.54 120.64 116.18 1wxt n GLU 30 Ca 0.00 0.50 -0.34 0.00 0.66 0.00 0.00 57.16 57.98 1wxt n GLU 30 Cb 0.00 -2.00 -0.06 0.00 0.27 0.00 0.00 31.44 29.65 1wxt n GLU 30 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wxt s LYS 31 N -1.88 3.28 0.14 5.31 -0.14 -1.26 -0.83 119.74 124.36 1wxt s LYS 31 Ca 0.61 -0.36 -0.07 0.00 -1.36 0.00 0.00 55.97 54.80 1wxt s LYS 31 Cb -0.59 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 32.53 1wxt s LYS 31 CO 0.58 0.68 0.20 -0.51 -0.76 0.00 0.00 175.35 175.55 1wxt s LEU 32 N -1.68 1.29 -0.19 3.17 1.43 -0.70 -4.97 118.68 117.03 1wxt s LEU 32 Ca 0.23 -0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 52.36 1wxt s LEU 32 Cb -0.12 0.92 -0.03 0.00 0.03 0.00 0.00 46.19 46.98 1wxt s LEU 32 CO 0.14 -0.82 0.04 -0.70 0.23 0.00 0.00 176.35 175.24 1wxt s GLU 33 N -3.96 3.84 0.32 1.70 2.12 -1.20 -2.03 118.70 119.47 1wxt s GLU 33 Ca 0.16 -0.42 -0.23 0.00 0.36 0.00 0.00 54.97 54.84 1wxt s GLU 33 Cb 0.05 -3.15 -0.10 0.00 0.26 0.00 0.00 34.13 31.19 1wxt s GLU 33 CO -0.02 0.18 0.88 0.08 -0.54 0.00 0.00 175.26 175.85 1wxt s VAL 34 N 0.59 4.35 0.05 3.70 1.01 0.99 -1.91 120.40 129.17 1wxt s VAL 34 Ca 0.02 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1wxt s VAL 34 Cb -0.13 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1wxt s VAL 34 CO 0.02 0.06 0.00 0.18 0.00 0.00 0.00 175.10 175.36 1wxt n LEU 35 N 0.34 0.28 -4.03 3.92 4.77 0.11 -4.43 117.00 117.96 1wxt n LEU 35 Ca 0.02 0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 1wxt n LEU 35 Cb 0.51 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1wxt n LEU 35 CO 0.43 -0.32 0.05 -0.62 -1.33 0.00 0.00 177.39 175.59 1wxt s ASP 36 N -5.26 5.13 -0.64 -1.43 2.15 -1.20 -4.92 116.67 110.50 1wxt s ASP 36 Ca 0.00 -3.30 -0.01 0.00 0.43 0.00 0.00 52.55 49.67 1wxt s ASP 36 Cb 0.00 -1.78 0.46 0.00 -0.30 0.00 0.00 42.92 41.30 1wxt s ASP 36 CO 0.00 -0.24 1.98 0.00 -0.17 0.00 0.00 175.17 176.74 1wxt n HIS 37 N 2.82 3.19 -0.05 -5.34 1.44 -1.26 -2.07 115.22 113.95 1wxt n HIS 37 Ca 0.13 -2.94 -0.12 0.00 -2.01 0.00 0.00 57.72 52.78 1wxt n HIS 37 Cb 0.36 -1.36 -0.04 0.00 0.12 0.00 0.00 29.99 29.06 1wxt n HIS 37 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1wxt n SER 38 N -0.91 1.17 -4.76 4.39 7.64 -1.26 -5.04 113.62 114.85 1wxt n SER 38 Ca 0.61 0.19 -0.30 0.00 1.01 0.00 0.00 58.87 60.38 1wxt n SER 38 Cb 0.71 -0.46 0.10 0.00 -1.01 0.00 0.00 64.21 63.56 1wxt n SER 38 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wxt s LYS 39 N -2.33 1.97 0.18 1.43 1.02 -1.26 -4.91 119.74 115.84 1wxt s LYS 39 Ca -0.18 0.94 -0.18 0.00 0.02 0.00 0.00 55.97 56.56 1wxt s LYS 39 Cb 0.06 -1.88 0.13 0.00 -0.52 0.00 0.00 37.83 35.61 1wxt s LYS 39 CO 0.24 -1.78 1.31 0.54 -0.92 0.00 0.00 175.35 174.74 1wxt n ARG 40 N -3.58 -0.25 -3.17 1.68 3.00 -1.26 -4.27 116.66 108.81 1wxt n ARG 40 Ca 0.08 1.29 -0.36 0.00 -0.01 0.00 0.00 57.85 58.85 1wxt n ARG 40 Cb 0.54 -1.91 -0.06 0.00 0.00 0.00 0.00 32.46 31.03 1wxt n ARG 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1wxt s TRP 41 N -5.69 3.62 -0.20 -1.55 0.52 -1.26 -4.55 118.94 109.83 1wxt s TRP 41 Ca -0.11 1.29 -0.09 0.00 0.02 0.00 0.00 56.10 57.21 1wxt s TRP 41 Cb 0.15 -2.54 -0.04 0.00 -1.15 0.00 0.00 33.47 29.88 1wxt s TRP 41 CO 0.58 0.35 0.10 -1.58 0.02 0.00 0.00 176.95 176.42 1wxt s TRP 42 N -1.53 3.29 0.01 -1.98 0.52 -0.35 -4.67 118.94 114.24 1wxt s TRP 42 Ca 0.42 0.14 -0.22 0.00 0.02 0.00 0.00 56.10 56.46 1wxt s TRP 42 Cb -0.16 -2.15 -0.05 0.00 -1.15 0.00 0.00 33.47 29.96 1wxt s TRP 42 CO 0.20 0.14 0.67 -1.17 0.02 0.00 0.00 176.95 176.81 1wxt s LEU 43 N 0.57 4.43 0.19 2.99 2.96 -0.88 -0.70 118.68 128.24 1wxt s LEU 43 Ca 0.05 1.27 0.01 0.00 -0.22 0.00 0.00 54.13 55.25 1wxt s LEU 43 Cb -0.12 -3.05 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 1wxt s LEU 43 CO 0.01 0.06 0.05 0.68 -1.32 0.00 0.00 176.35 175.83 1wxt s VAL 44 N -0.10 0.46 0.10 1.68 -7.23 -0.64 0.06 120.40 114.72 1wxt s VAL 44 Ca 0.34 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1wxt s VAL 44 Cb -0.19 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1wxt s VAL 44 CO 0.19 -0.28 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.88 1wxt s LYS 45 N -4.00 0.82 0.52 4.82 2.20 -0.80 -1.10 119.74 122.19 1wxt s LYS 45 Ca 0.30 -1.24 0.03 0.00 -0.36 0.00 0.00 55.97 54.69 1wxt s LYS 45 Cb 0.07 -0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.11 1wxt s LYS 45 CO 0.07 0.02 0.26 0.27 -0.36 0.00 0.00 175.35 175.61 1wxt n ASN 46 N 0.23 2.92 -0.02 1.43 0.23 -1.13 -3.26 115.26 115.66 1wxt n ASN 46 Ca -0.14 -2.93 -0.01 0.00 -0.53 0.00 0.00 54.58 50.97 1wxt n ASN 46 Cb 0.59 0.09 0.28 0.00 -2.08 0.00 0.00 39.78 38.66 1wxt n ASN 46 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1wxt h GLU 47 N 0.00 0.57 -0.18 -3.83 4.11 -1.93 -2.30 114.58 111.02 1wxt h GLU 47 Ca -0.36 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 1wxt h GLU 47 Cb 1.23 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1wxt h GLU 47 CO 0.58 0.59 0.02 0.00 0.07 0.00 0.00 179.01 180.26 1wxt h ALA 48 N 1.47 1.70 0.00 1.06 0.00 -2.04 -3.46 119.26 117.99 1wxt h ALA 48 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wxt h ALA 48 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wxt h ALA 48 CO 0.01 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1wxt n GLY 49 N -1.23 1.11 3.65 0.00 0.00 -0.86 -5.08 105.19 102.77 1wxt n GLY 49 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1wxt n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wxt s ARG 50 N -0.28 4.14 -0.10 1.61 0.52 -1.26 -4.77 118.95 118.80 1wxt s ARG 50 Ca 0.00 1.35 -0.01 0.00 -0.52 0.00 0.00 55.73 56.55 1wxt s ARG 50 Cb 0.00 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 1wxt s ARG 50 CO 0.00 -0.81 -0.04 -1.54 0.02 0.00 0.00 175.30 172.93 1wxt s SER 51 N 1.80 4.80 0.15 0.23 1.04 -1.26 -2.82 113.70 117.65 1wxt s SER 51 Ca 0.49 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.84 1wxt s SER 51 Cb -0.16 -1.46 -0.03 0.00 0.10 0.00 0.00 66.02 64.47 1wxt s SER 51 CO 0.14 0.29 0.17 -0.83 0.98 0.00 0.00 173.24 173.98 1wxt s GLY 52 N -0.37 0.82 -0.10 7.32 0.00 -0.26 -4.86 107.32 109.89 1wxt s GLY 52 Ca 0.06 -1.25 -0.25 0.00 0.00 0.00 0.00 44.72 43.28 1wxt s GLY 52 CO 0.02 -1.14 0.77 -0.19 0.00 0.00 0.00 173.10 172.57 1wxt s TYR 53 N -4.03 3.53 0.09 1.90 2.02 -1.17 -1.63 117.35 118.07 1wxt s TYR 53 Ca 0.23 1.29 0.07 0.00 -0.37 0.00 0.00 57.07 58.29 1wxt s TYR 53 Cb 0.06 -2.91 -0.03 0.00 -0.40 0.00 0.00 41.96 38.67 1wxt s TYR 53 CO 0.02 -0.04 -0.18 0.96 -1.57 0.00 0.00 175.55 174.75 1wxt s ILE 54 N 1.31 1.45 -0.13 2.71 -4.36 0.12 -4.19 121.20 118.11 1wxt s ILE 54 Ca 0.39 -1.45 -0.29 0.00 -0.26 0.00 0.00 60.65 59.03 1wxt s ILE 54 Cb -0.18 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 1wxt s ILE 54 CO 0.17 -0.14 1.55 -2.16 0.24 0.00 0.00 174.94 174.60 1wxt s PRO 55 N -1.87 4.08 0.51 0.37 0.04 -1.26 -1.21 135.00 135.67 1wxt s PRO 55 Ca 0.03 1.91 0.22 0.00 0.04 0.00 0.00 61.00 63.20 1wxt s PRO 55 Cb -0.10 -3.95 1.18 0.00 0.04 0.00 0.00 34.50 31.68 1wxt s PRO 55 CO 0.03 -0.94 1.62 1.03 0.04 0.00 0.00 177.00 178.79 1wxt h SER 56 N 9.55 0.00 0.01 6.66 0.87 -1.89 0.13 113.55 128.88 1wxt h SER 56 Ca -0.35 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1wxt h SER 56 Cb 1.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1wxt h SER 56 CO 0.97 0.00 -0.00 0.78 -0.53 0.00 0.00 176.83 178.05 1wxt h ASN 57 N 0.00 0.00 -0.37 6.23 2.35 -1.94 0.19 115.58 122.05 1wxt h ASN 57 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1wxt h ASN 57 Cb 0.66 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1wxt h ASN 57 CO 0.00 0.00 0.01 2.30 -1.65 0.00 0.00 177.43 178.10 1wxt n ILE 58 N -3.50 2.46 -4.84 2.81 -5.35 0.44 -4.85 119.36 106.54 1wxt n ILE 58 Ca -0.03 -1.81 -0.33 0.00 -0.27 0.00 0.00 62.75 60.32 1wxt n ILE 58 Cb 0.08 -0.27 -0.16 0.00 -1.74 0.00 0.00 39.64 37.54 1wxt n ILE 58 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wxt s LEU 59 N -2.85 2.24 0.12 7.28 1.43 0.05 -0.52 118.68 126.43 1wxt s LEU 59 Ca 0.46 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 1wxt s LEU 59 Cb 0.37 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1wxt s LEU 59 CO 0.10 0.12 -0.18 -1.83 0.23 0.00 0.00 176.35 174.79 1wxt s GLU 60 N 0.61 1.12 -1.16 1.70 -1.05 -0.83 -4.95 118.70 114.13 1wxt s GLU 60 Ca -0.11 -1.23 -0.23 0.00 -0.15 0.00 0.00 54.97 53.25 1wxt s GLU 60 Cb -0.16 -1.21 -0.08 0.00 -0.44 0.00 0.00 34.13 32.23 1wxt s GLU 60 CO 0.03 0.26 1.93 -1.25 0.95 0.00 0.00 175.26 177.18 1wxt s PRO 61 N -2.30 2.51 0.48 -4.83 0.04 -1.26 -2.47 135.00 127.16 1wxt s PRO 61 Ca 0.09 -1.09 0.15 0.00 0.04 0.00 0.00 61.00 60.18 1wxt s PRO 61 Cb -0.08 -5.23 1.14 0.00 0.04 0.00 0.00 34.50 30.38 1wxt s PRO 61 CO 0.04 -3.92 2.07 1.37 0.04 0.00 0.00 177.00 176.61 1wxt h LEU 62 N 17.73 0.18 -9.99 -3.56 8.10 -1.90 -3.42 115.31 122.46 1wxt h LEU 62 Ca 0.21 -0.00 -0.51 0.00 0.11 0.00 0.00 57.88 57.69 1wxt h LEU 62 Cb 0.94 -0.04 0.06 0.00 -0.44 0.00 0.00 40.66 41.18 1wxt h LEU 62 CO 1.22 0.13 0.49 -0.44 -4.11 0.00 0.00 178.44 175.73 1wxt s SER 63 N -6.70 6.27 0.00 0.17 0.01 -1.26 -4.82 113.70 107.37 1wxt s SER 63 Ca -0.06 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.52 1wxt s SER 63 Cb 0.18 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1wxt s SER 63 CO 0.71 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1wxt n GLY 64 N 0.49 -1.21 0.26 3.44 0.00 -1.26 -4.68 105.19 102.23 1wxt n GLY 64 Ca 0.06 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 44.00 1wxt n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wxt h PRO 65 N 4.97 0.00 -5.74 1.61 0.13 -1.95 -3.43 132.00 127.60 1wxt h PRO 65 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1wxt h PRO 65 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wxt h PRO 65 CO 0.00 0.09 1.58 -1.13 -0.23 0.00 0.00 178.00 178.31 1wxt n SER 66 N -3.25 2.57 -4.04 1.44 3.41 -1.26 -4.92 113.62 107.56 1wxt n SER 66 Ca 0.00 -0.19 -0.31 0.00 -0.26 0.00 0.00 58.87 58.11 1wxt n SER 66 Cb 0.33 -1.54 -0.16 0.00 -0.26 0.00 0.00 64.21 62.59 1wxt n SER 66 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wxt s SER 67 N 10.51 3.63 0.00 4.04 1.04 -1.26 -4.86 113.70 126.79 1wxt s SER 67 Ca 1.01 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1wxt s SER 67 Cb -0.31 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1wxt s SER 67 CO 0.31 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.01