#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 -0.36 -0.20 1.61 1.04 -1.26 -5.14 113.70 109.39 1wxt s SER 2 Ca 0.00 0.69 -0.23 0.00 0.48 0.00 0.00 55.95 56.89 1wxt s SER 2 Cb 0.00 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.82 1wxt s SER 2 CO 0.00 -0.12 0.73 -0.55 0.98 0.00 0.00 173.24 174.28 1wxt s SER 3 N 0.22 6.79 0.71 7.02 0.15 -1.26 -4.82 113.70 122.50 1wxt s SER 3 Ca 0.04 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1wxt s SER 3 Cb -0.05 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1wxt s SER 3 CO -0.09 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1wxt n GLY 4 N 3.72 1.34 2.13 9.45 0.00 -1.26 -4.95 105.19 115.61 1wxt n GLY 4 Ca 0.02 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1wxt n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wxt n SER 5 N 5.88 -2.90 -3.74 1.61 2.88 -1.26 -5.05 113.62 111.04 1wxt n SER 5 Ca 0.00 -0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.18 1wxt n SER 5 Cb 0.00 -2.25 -0.09 0.00 -0.75 0.00 0.00 64.21 61.12 1wxt n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wxt s SER 6 N -3.31 -0.28 0.00 -3.46 1.04 -1.26 -5.16 113.70 101.27 1wxt s SER 6 Ca 0.12 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1wxt s SER 6 Cb -0.05 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1wxt s SER 6 CO 0.28 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1wxt n GLY 7 N 1.77 0.85 3.61 7.32 0.00 -1.26 -5.04 105.19 112.44 1wxt n GLY 7 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 3.25 -0.06 0.99 2.96 -1.25 -5.03 118.68 119.54 1wxt s LEU 8 Ca 0.00 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1wxt s LEU 8 Cb 0.00 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 1wxt s LEU 8 CO 0.00 0.30 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.60 1wxt s LYS 9 N -1.33 2.16 0.11 1.98 1.02 -1.26 0.58 119.74 122.99 1wxt s LYS 9 Ca 0.17 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.51 1wxt s LYS 9 Cb -0.11 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.37 1wxt s LYS 9 CO 0.07 0.22 -0.10 -1.64 -0.92 0.00 0.00 175.35 172.98 1wxt s MET 10 N 0.16 0.88 -0.09 1.68 -1.94 -0.92 -4.36 119.30 114.72 1wxt s MET 10 Ca -0.08 -1.22 -0.01 0.00 -1.71 0.00 0.00 55.69 52.67 1wxt s MET 10 Cb -0.14 -0.53 -0.03 0.00 2.01 0.00 0.00 34.83 36.15 1wxt s MET 10 CO 0.04 0.07 -0.04 1.14 -0.01 0.00 0.00 175.02 176.22 1wxt s GLN 11 N -3.04 2.96 0.48 2.03 -2.07 -1.18 -2.49 119.66 116.35 1wxt s GLN 11 Ca 0.08 -0.50 -0.23 0.00 -1.82 0.00 0.00 55.36 52.89 1wxt s GLN 11 Cb -0.01 -2.70 -0.07 0.00 -1.09 0.00 0.00 33.01 29.14 1wxt s GLN 11 CO -0.00 0.62 1.26 0.08 -1.32 0.00 0.00 175.29 175.92 1wxt s VAL 12 N -0.66 2.65 -0.09 3.63 1.01 -0.89 -2.67 120.40 123.37 1wxt s VAL 12 Ca 0.10 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1wxt s VAL 12 Cb -0.12 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 1wxt s VAL 12 CO 0.02 0.01 -0.07 -0.11 0.00 0.00 0.00 175.10 174.95 1wxt n LEU 13 N -0.60 2.68 -3.95 3.92 7.94 0.02 -1.63 117.00 125.37 1wxt n LEU 13 Ca 0.08 -0.04 -0.26 0.00 -1.11 0.00 0.00 56.01 54.68 1wxt n LEU 13 Cb 0.46 -0.27 -0.17 0.00 0.53 0.00 0.00 43.42 43.97 1wxt n LEU 13 CO 0.51 0.61 -0.45 -0.31 -1.11 0.00 0.00 177.39 176.63 1wxt s TYR 14 N -2.18 1.47 0.36 1.96 2.02 -1.26 -4.63 117.35 115.09 1wxt s TYR 14 Ca -0.11 -0.66 -0.25 0.00 -0.37 0.00 0.00 57.07 55.67 1wxt s TYR 14 Cb 0.03 -1.17 -0.13 0.00 -0.40 0.00 0.00 41.96 40.30 1wxt s TYR 14 CO 0.22 -0.42 0.88 -1.91 -1.57 0.00 0.00 175.55 172.75 1wxt n GLU 15 N 4.51 1.11 -4.12 -0.62 2.13 -1.26 -4.65 120.64 117.74 1wxt n GLU 15 Ca -0.17 0.40 -0.18 0.00 0.66 0.00 0.00 57.16 57.87 1wxt n GLU 15 Cb 0.51 -1.80 -0.16 0.00 0.27 0.00 0.00 31.44 30.26 1wxt n GLU 15 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1wxt s PHE 16 N -1.23 0.56 -0.44 4.31 5.36 0.34 -4.95 117.98 121.93 1wxt s PHE 16 Ca 0.62 -0.12 -0.18 0.00 -0.96 0.00 0.00 56.93 56.29 1wxt s PHE 16 Cb -0.64 -0.48 0.03 0.00 -0.34 0.00 0.00 43.02 41.60 1wxt s PHE 16 CO 0.58 -0.11 0.50 -1.21 -1.46 0.00 0.00 175.22 173.52 1wxt s GLU 17 N 0.55 3.12 -0.33 10.12 2.02 -1.26 -2.21 118.70 130.71 1wxt s GLU 17 Ca -0.07 -0.75 -0.28 0.00 0.02 0.00 0.00 54.97 53.89 1wxt s GLU 17 Cb -0.10 -4.00 -0.02 0.00 0.10 0.00 0.00 34.13 30.11 1wxt s GLU 17 CO -0.00 -0.95 1.86 0.00 0.02 0.00 0.00 175.26 176.18 1wxt s ALA 18 N 2.31 2.81 -0.53 5.21 0.00 -1.26 -4.86 121.76 125.43 1wxt s ALA 18 Ca 0.14 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1wxt s ALA 18 Cb -0.17 -4.04 0.47 0.00 0.00 0.00 0.00 23.12 19.38 1wxt s ALA 18 CO 0.14 -2.72 1.78 0.54 0.00 0.00 0.00 175.76 175.49 1wxt n ARG 19 N 8.50 2.83 -3.70 0.00 1.74 -1.26 -4.83 116.66 119.95 1wxt n ARG 19 Ca 0.24 -3.48 -0.10 0.00 -0.77 0.00 0.00 57.85 53.74 1wxt n ARG 19 Cb 0.47 -2.25 -0.04 0.00 -1.02 0.00 0.00 32.46 29.63 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 -2.28 -0.28 0.08 0.55 0.01 -1.26 -5.04 114.94 106.71 1wxt s ASN 20 Ca 0.59 -0.42 -0.17 0.00 -0.71 0.00 0.00 52.86 52.16 1wxt s ASN 20 Cb 0.48 0.56 -0.10 0.00 0.41 0.00 0.00 41.25 42.59 1wxt s ASN 20 CO 0.01 -1.01 1.40 1.55 -1.51 0.00 0.00 177.10 177.54 1wxt h PRO 21 N 2.21 0.58 -0.09 -0.60 0.13 -2.03 -2.93 132.00 129.27 1wxt h PRO 21 Ca -0.30 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1wxt h PRO 21 Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wxt h PRO 21 CO 0.39 0.90 0.00 2.89 -0.23 0.00 0.00 178.00 181.95 1wxt n ARG 22 N -4.37 1.26 -3.49 0.86 1.85 -1.26 -4.85 116.66 106.66 1wxt n ARG 22 Ca -0.05 -0.40 -0.19 0.00 -1.00 0.00 0.00 57.85 56.21 1wxt n ARG 22 Cb 0.43 -1.20 -0.01 0.00 -1.05 0.00 0.00 32.46 30.63 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 -1.88 3.06 -0.06 2.89 2.02 -1.11 -0.73 118.70 122.89 1wxt s GLU 23 Ca 0.18 -1.05 -0.03 0.00 0.02 0.00 0.00 54.97 54.09 1wxt s GLU 23 Cb 0.09 -2.78 0.04 0.00 0.10 0.00 0.00 34.13 31.58 1wxt s GLU 23 CO 0.13 0.06 0.13 -1.17 0.02 0.00 0.00 175.26 174.43 1wxt s LEU 24 N -4.16 0.71 0.40 1.80 2.96 -1.26 -4.66 118.68 114.46 1wxt s LEU 24 Ca 0.45 0.27 -0.26 0.00 -0.22 0.00 0.00 54.13 54.37 1wxt s LEU 24 Cb -0.09 0.31 -0.09 0.00 0.50 0.00 0.00 46.19 46.82 1wxt s LEU 24 CO 0.31 -0.15 1.26 -0.89 -1.32 0.00 0.00 176.35 175.55 1wxt s THR 25 N 1.24 2.79 -0.01 3.68 2.01 -1.26 -4.50 115.64 119.59 1wxt s THR 25 Ca -0.08 0.71 -0.08 0.00 0.31 0.00 0.00 61.69 62.54 1wxt s THR 25 Cb -0.12 -3.41 0.01 0.00 0.01 0.00 0.00 72.50 68.99 1wxt s THR 25 CO -0.06 0.10 0.17 0.68 -0.69 0.00 0.00 174.62 174.83 1wxt s VAL 26 N -1.29 0.07 0.12 3.82 -7.23 -0.94 -4.96 120.40 109.99 1wxt s VAL 26 Ca 0.56 -0.57 0.10 0.00 -1.81 0.00 0.00 61.98 60.26 1wxt s VAL 26 Cb -0.36 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 1wxt s VAL 26 CO 0.46 -0.31 -0.24 0.68 -0.31 0.00 0.00 175.10 175.38 1wxt s VAL 27 N -1.19 2.04 0.44 1.32 -7.23 -1.26 -0.50 120.40 114.01 1wxt s VAL 27 Ca -0.13 -1.69 -0.23 0.00 -1.81 0.00 0.00 61.98 58.12 1wxt s VAL 27 Cb -0.06 -1.83 -0.11 0.00 0.56 0.00 0.00 36.38 34.94 1wxt s VAL 27 CO 0.02 0.01 0.87 1.67 -0.31 0.00 0.00 175.10 177.37 1wxt n GLN 28 N 0.94 1.08 0.00 4.82 7.27 -1.26 -1.32 117.38 128.91 1wxt n GLN 28 Ca -0.18 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.28 1wxt n GLN 28 Cb 0.53 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.28 1wxt n GLN 28 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wxt n GLY 29 N 1.37 2.73 3.56 1.69 0.00 -0.65 -4.97 105.19 108.91 1wxt n GLY 29 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.50 0.49 -4.40 1.61 2.13 -0.44 -4.71 120.64 114.83 1wxt n GLU 30 Ca 0.00 0.21 -0.34 0.00 0.66 0.00 0.00 57.16 57.70 1wxt n GLU 30 Cb 0.00 -2.05 -0.13 0.00 0.27 0.00 0.00 31.44 29.53 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 -2.99 3.61 0.13 5.31 1.02 -1.26 -2.10 119.74 123.45 1wxt s LYS 31 Ca 0.71 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 56.15 1wxt s LYS 31 Cb -0.36 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1wxt s LYS 31 CO 0.52 0.19 0.03 -0.51 -0.92 0.00 0.00 175.35 174.66 1wxt s LEU 32 N 0.49 1.97 -0.17 3.17 1.43 -1.04 -4.76 118.68 119.77 1wxt s LEU 32 Ca -0.04 -1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 51.87 1wxt s LEU 32 Cb -0.14 0.17 -0.01 0.00 0.03 0.00 0.00 46.19 46.24 1wxt s LEU 32 CO 0.03 -0.66 -0.10 -0.70 0.23 0.00 0.00 176.35 175.15 1wxt s GLU 33 N -3.99 3.35 0.16 1.70 2.12 -1.11 -2.16 118.70 118.77 1wxt s GLU 33 Ca 0.22 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 1wxt s GLU 33 Cb 0.07 -2.79 -0.07 0.00 0.26 0.00 0.00 34.13 31.60 1wxt s GLU 33 CO 0.01 -0.00 1.07 0.08 -0.54 0.00 0.00 175.26 175.88 1wxt s VAL 34 N 0.92 4.00 0.00 3.70 1.01 0.20 -1.97 120.40 128.26 1wxt s VAL 34 Ca -0.02 1.71 -0.06 0.00 0.00 0.00 0.00 61.98 63.61 1wxt s VAL 34 Cb -0.15 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1wxt s VAL 34 CO -0.00 0.29 -0.11 0.18 0.00 0.00 0.00 175.10 175.45 1wxt n LEU 35 N 2.47 1.25 -4.09 3.92 4.77 0.15 -3.74 117.00 121.74 1wxt n LEU 35 Ca 0.03 0.18 -0.35 0.00 -0.03 0.00 0.00 56.01 55.84 1wxt n LEU 35 Cb 0.47 -0.45 -0.12 0.00 -2.33 0.00 0.00 43.42 40.99 1wxt n LEU 35 CO 0.53 -0.58 -0.15 -1.81 -1.33 0.00 0.00 177.39 174.06 1wxt s ASP 36 N -5.82 5.13 -0.77 -1.43 1.11 -1.18 -4.95 116.67 108.76 1wxt s ASP 36 Ca -0.09 -2.29 0.01 0.00 0.18 0.00 0.00 52.55 50.36 1wxt s ASP 36 Cb 0.01 -1.80 0.36 0.00 1.07 0.00 0.00 42.92 42.56 1wxt s ASP 36 CO 0.13 -0.47 1.64 0.00 1.18 0.00 0.00 175.17 177.66 1wxt n HIS 37 N 4.22 3.17 -0.00 4.23 1.44 -1.26 -2.04 115.22 124.97 1wxt n HIS 37 Ca 0.01 -2.77 -0.01 0.00 -2.01 0.00 0.00 57.72 52.94 1wxt n HIS 37 Cb 0.40 -0.86 -0.00 0.00 0.12 0.00 0.00 29.99 29.65 1wxt n HIS 37 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1wxt n SER 38 N -0.37 2.03 -4.87 4.39 2.88 -1.26 -5.05 113.62 111.36 1wxt n SER 38 Ca 0.46 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.69 1wxt n SER 38 Cb 0.35 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1wxt n SER 38 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wxt s LYS 39 N -2.01 3.65 0.29 -1.46 2.47 -1.26 -4.93 119.74 116.48 1wxt s LYS 39 Ca -0.01 0.71 0.05 0.00 -1.56 0.00 0.00 55.97 55.16 1wxt s LYS 39 Cb 0.00 -2.13 0.79 0.00 -1.46 0.00 0.00 37.83 35.03 1wxt s LYS 39 CO 0.01 -0.47 1.39 0.54 0.16 0.00 0.00 175.35 176.98 1wxt n ARG 40 N -2.48 -0.07 -3.91 4.03 1.74 -1.26 -3.99 116.66 110.73 1wxt n ARG 40 Ca 0.05 1.30 -0.35 0.00 -0.77 0.00 0.00 57.85 58.09 1wxt n ARG 40 Cb 0.54 -2.12 -0.10 0.00 -1.02 0.00 0.00 32.46 29.76 1wxt n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1wxt s TRP 41 N -5.74 3.28 0.21 -1.55 0.52 -1.26 -3.96 118.94 110.43 1wxt s TRP 41 Ca -0.11 0.11 -0.17 0.00 0.02 0.00 0.00 56.10 55.95 1wxt s TRP 41 Cb 0.27 -2.12 -0.08 0.00 -1.15 0.00 0.00 33.47 30.39 1wxt s TRP 41 CO 0.69 0.14 0.66 -1.58 0.02 0.00 0.00 176.95 176.88 1wxt s TRP 42 N 0.51 3.58 -0.41 -1.98 0.52 0.39 -4.79 118.94 116.77 1wxt s TRP 42 Ca 0.05 1.24 -0.15 0.00 0.02 0.00 0.00 56.10 57.25 1wxt s TRP 42 Cb -0.12 -2.51 0.02 0.00 -1.15 0.00 0.00 33.47 29.70 1wxt s TRP 42 CO 0.00 0.33 0.32 -1.17 0.02 0.00 0.00 176.95 176.45 1wxt s LEU 43 N -2.16 5.06 0.40 2.99 2.96 -0.87 -1.31 118.68 125.76 1wxt s LEU 43 Ca 0.43 -0.86 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1wxt s LEU 43 Cb -0.15 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1wxt s LEU 43 CO 0.20 -0.47 0.24 0.68 -1.32 0.00 0.00 176.35 175.68 1wxt s VAL 44 N 1.76 2.61 0.05 1.68 -7.23 -1.14 0.34 120.40 118.46 1wxt s VAL 44 Ca 0.06 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1wxt s VAL 44 Cb -0.19 -3.00 -0.03 0.00 0.56 0.00 0.00 36.38 33.72 1wxt s VAL 44 CO 0.11 -0.04 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.03 1wxt s LYS 45 N -3.97 0.57 0.53 4.82 2.20 -0.83 -1.68 119.74 121.37 1wxt s LYS 45 Ca 0.43 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 1wxt s LYS 45 Cb -0.00 -0.27 0.10 0.00 -1.51 0.00 0.00 37.83 36.15 1wxt s LYS 45 CO 0.25 0.04 0.73 0.27 -0.36 0.00 0.00 175.35 176.27 1wxt n ASN 46 N 1.25 1.22 -0.20 1.43 6.94 -0.29 -2.73 115.26 122.88 1wxt n ASN 46 Ca -0.21 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 1wxt n ASN 46 Cb 0.55 -0.45 0.01 0.00 -2.36 0.00 0.00 39.78 37.54 1wxt n ASN 46 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wxt n GLU 47 N -2.29 1.10 -0.00 -3.83 1.02 -1.26 -2.94 120.64 112.44 1wxt n GLU 47 Ca 0.13 -0.12 0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1wxt n GLU 47 Cb 0.46 -1.17 -0.06 0.00 -0.02 0.00 0.00 31.44 30.65 1wxt n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wxt n ALA 48 N -0.29 2.49 0.00 0.62 0.00 -1.26 -5.00 120.51 117.07 1wxt n ALA 48 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1wxt n ALA 48 Cb 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1wxt n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wxt n GLY 49 N 1.82 0.68 3.70 0.00 0.00 -1.15 -5.08 105.19 105.16 1wxt n GLY 49 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.59 4.36 -0.12 1.61 0.52 -1.26 -4.85 118.95 118.63 1wxt s ARG 50 Ca 0.00 0.80 0.01 0.00 -0.52 0.00 0.00 55.73 56.02 1wxt s ARG 50 Cb 0.00 -3.49 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 1wxt s ARG 50 CO 0.00 -0.04 -0.15 -1.54 0.02 0.00 0.00 175.30 173.59 1wxt s SER 51 N 0.91 3.87 0.07 0.23 1.04 -1.26 -1.14 113.70 117.41 1wxt s SER 51 Ca 0.35 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.47 1wxt s SER 51 Cb -0.17 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 64.40 1wxt s SER 51 CO 0.15 0.18 -0.14 -0.83 0.98 0.00 0.00 173.24 173.58 1wxt s GLY 52 N 0.27 0.86 -0.28 7.32 0.00 -0.68 -4.75 107.32 110.05 1wxt s GLY 52 Ca -0.11 -1.01 -0.29 0.00 0.00 0.00 0.00 44.72 43.32 1wxt s GLY 52 CO 0.06 -1.04 1.18 -0.19 0.00 0.00 0.00 173.10 173.11 1wxt s TYR 53 N -1.35 2.96 0.09 1.90 2.02 0.09 -2.91 117.35 120.15 1wxt s TYR 53 Ca -0.02 1.07 0.07 0.00 -0.37 0.00 0.00 57.07 57.83 1wxt s TYR 53 Cb -0.10 -3.71 -0.03 0.00 -0.40 0.00 0.00 41.96 37.73 1wxt s TYR 53 CO 0.02 -1.22 -0.18 0.96 -1.57 0.00 0.00 175.55 173.57 1wxt s ILE 54 N 3.84 1.44 0.35 2.71 -4.36 -0.43 -4.49 121.20 120.27 1wxt s ILE 54 Ca 0.50 -1.45 -0.28 0.00 -0.26 0.00 0.00 60.65 59.17 1wxt s ILE 54 Cb -0.15 -1.35 -0.09 0.00 1.25 0.00 0.00 42.46 42.12 1wxt s ILE 54 CO 0.17 -0.14 1.21 -2.16 0.24 0.00 0.00 174.94 174.26 1wxt s PRO 55 N -1.86 4.30 0.00 0.37 0.04 -1.26 -0.46 135.00 136.12 1wxt s PRO 55 Ca 0.03 1.99 0.22 0.00 0.04 0.00 0.00 61.00 63.28 1wxt s PRO 55 Cb -0.10 -2.95 1.25 0.00 0.04 0.00 0.00 34.50 32.74 1wxt s PRO 55 CO 0.03 -0.16 1.69 -1.13 0.04 0.00 0.00 177.00 177.48 1wxt n SER 56 N 0.61 0.00 0.13 6.66 3.41 -1.25 -2.79 113.62 120.40 1wxt n SER 56 Ca 0.01 -0.49 -0.00 0.00 -0.26 0.00 0.00 58.87 58.13 1wxt n SER 56 Cb 0.44 -0.08 0.13 0.00 -0.26 0.00 0.00 64.21 64.44 1wxt n SER 56 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wxt h ASN 57 N 0.00 0.00 -0.48 4.04 7.08 -1.90 -2.99 115.58 121.32 1wxt h ASN 57 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1wxt h ASN 57 Cb 0.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.30 1wxt h ASN 57 CO 0.00 0.62 0.00 2.30 -2.08 0.00 0.00 177.43 178.27 1wxt n ILE 58 N -3.55 0.63 -3.98 6.14 -5.35 -1.12 -4.92 119.36 107.21 1wxt n ILE 58 Ca -0.00 -0.74 -0.33 0.00 -0.27 0.00 0.00 62.75 61.41 1wxt n ILE 58 Cb 0.67 0.63 -0.06 0.00 -1.74 0.00 0.00 39.64 39.14 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 -1.26 4.17 0.05 7.28 1.43 -1.13 -0.80 118.68 128.41 1wxt s LEU 59 Ca 0.39 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1wxt s LEU 59 Cb 0.22 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1wxt s LEU 59 CO 0.29 0.26 -0.05 -1.83 0.23 0.00 0.00 176.35 175.25 1wxt s GLU 60 N -1.93 0.54 -1.19 1.70 -1.05 -1.09 -4.92 118.70 110.76 1wxt s GLU 60 Ca 0.26 -0.90 -0.23 0.00 -0.15 0.00 0.00 54.97 53.95 1wxt s GLU 60 Cb -0.12 -0.07 -0.09 0.00 -0.44 0.00 0.00 34.13 33.40 1wxt s GLU 60 CO 0.18 -0.02 1.93 -0.35 0.95 0.00 0.00 175.26 177.95 1wxt n PRO 61 N 0.99 1.60 -0.21 -4.83 -0.04 -1.26 -3.10 135.00 128.15 1wxt n PRO 61 Ca -0.20 -2.47 -0.04 0.00 -0.04 0.00 0.00 63.50 60.75 1wxt n PRO 61 Cb 0.57 -3.73 0.02 0.00 -0.04 0.00 0.00 33.50 30.32 1wxt n PRO 61 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1wxt h LEU 62 N 17.72 -1.11-10.14 1.53 6.46 -1.89 -3.42 115.31 124.46 1wxt h LEU 62 Ca 0.22 0.23 -0.49 0.00 -0.12 0.00 0.00 57.88 57.72 1wxt h LEU 62 Cb 0.93 0.57 -0.03 0.00 -0.73 0.00 0.00 40.66 41.40 1wxt h LEU 62 CO 1.23 -0.29 -0.40 -0.55 -0.62 0.00 0.00 178.44 177.81 1wxt s SER 63 N -5.18 5.11 0.00 1.25 0.15 -1.26 -5.03 113.70 108.74 1wxt s SER 63 Ca -0.14 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1wxt s SER 63 Cb 0.17 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 1wxt s SER 63 CO 0.70 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1wxt n GLY 64 N -1.50 -1.80 3.73 9.45 0.00 -1.26 -4.94 105.19 108.88 1wxt n GLY 64 Ca 0.02 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1wxt n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wxt s PRO 65 N 0.00 4.38 -0.28 1.61 0.04 -1.26 -5.02 135.00 134.47 1wxt s PRO 65 Ca 0.00 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 1wxt s PRO 65 Cb 0.00 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.43 1wxt s PRO 65 CO 0.00 -0.27 0.67 0.45 0.04 0.00 0.00 177.00 177.88 1wxt s SER 66 N 0.45 -1.00 -0.72 6.66 0.15 -1.26 -5.02 113.70 112.96 1wxt s SER 66 Ca 0.58 1.52 -0.19 0.00 0.70 0.00 0.00 55.95 58.55 1wxt s SER 66 Cb -0.36 1.69 0.11 0.00 -1.71 0.00 0.00 66.02 65.75 1wxt s SER 66 CO 0.37 -0.23 0.89 -0.44 1.20 0.00 0.00 173.24 175.03 1wxt s SER 67 N 2.07 6.35 0.00 5.45 0.01 -1.26 -5.24 113.70 121.08 1wxt s SER 67 Ca -0.09 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1wxt s SER 67 Cb -0.08 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1wxt s SER 67 CO -0.19 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 172.93