#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 5.72 -1.53 1.61 0.01 -1.26 -3.73 113.70 114.53 1wxt s SER 2 Ca 0.00 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 56.68 1wxt s SER 2 Cb 0.00 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.76 1wxt s SER 2 CO 0.00 -2.15 0.95 -1.20 0.41 0.00 0.00 173.24 171.25 1wxt n SER 3 N 11.36 -4.43 0.00 2.44 7.64 -1.26 -4.94 113.62 124.43 1wxt n SER 3 Ca 0.22 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1wxt n SER 3 Cb 0.50 -3.81 0.00 0.00 -1.01 0.00 0.00 64.21 59.89 1wxt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wxt n GLY 4 N -1.67 1.18 3.13 0.23 0.00 -1.24 -5.04 105.19 101.77 1wxt n GLY 4 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1wxt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wxt s SER 5 N 0.09 5.45 -0.61 1.61 0.01 -1.26 -4.82 113.70 114.17 1wxt s SER 5 Ca 0.00 -2.77 -0.21 0.00 1.31 0.00 0.00 55.95 54.28 1wxt s SER 5 Cb 0.00 -1.90 0.08 0.00 0.21 0.00 0.00 66.02 64.41 1wxt s SER 5 CO 0.00 -0.41 0.81 -0.94 0.41 0.00 0.00 173.24 173.11 1wxt s SER 6 N 0.99 6.19 0.00 2.44 1.04 -1.26 -4.40 113.70 118.70 1wxt s SER 6 Ca 0.16 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1wxt s SER 6 Cb -0.19 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1wxt s SER 6 CO -0.04 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.55 1wxt n GLY 7 N 5.29 -0.06 2.84 7.32 0.00 -1.26 -5.03 105.19 114.29 1wxt n GLY 7 Ca -0.07 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.32 1.66 -0.02 0.99 0.20 -1.26 -5.11 118.68 113.82 1wxt s LEU 8 Ca 0.00 0.00 0.02 0.00 0.69 0.00 0.00 54.13 54.85 1wxt s LEU 8 Cb 0.00 -0.05 0.01 0.00 -0.43 0.00 0.00 46.19 45.71 1wxt s LEU 8 CO 0.00 -0.04 -0.08 -0.54 -0.29 0.00 0.00 176.35 175.40 1wxt s LYS 9 N 0.39 0.84 0.06 1.98 1.02 -1.26 -1.13 119.74 121.64 1wxt s LYS 9 Ca -0.03 -0.25 0.03 0.00 0.02 0.00 0.00 55.97 55.73 1wxt s LYS 9 Cb -0.05 -0.80 -0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1wxt s LYS 9 CO -0.01 0.08 -0.09 -1.64 -0.92 0.00 0.00 175.35 172.77 1wxt s MET 10 N 0.26 0.66 -0.08 1.68 -1.94 -1.13 -4.35 119.30 114.40 1wxt s MET 10 Ca -0.04 -0.93 0.02 0.00 -1.71 0.00 0.00 55.69 53.03 1wxt s MET 10 Cb -0.08 -0.38 -0.03 0.00 2.01 0.00 0.00 34.83 36.35 1wxt s MET 10 CO 0.00 0.06 -0.11 1.14 -0.01 0.00 0.00 175.02 176.10 1wxt s GLN 11 N -2.13 2.80 0.25 2.03 -2.07 -1.18 -2.09 119.66 117.28 1wxt s GLN 11 Ca -0.03 -0.63 -0.31 0.00 -1.82 0.00 0.00 55.36 52.56 1wxt s GLN 11 Cb -0.07 -2.52 -0.13 0.00 -1.09 0.00 0.00 33.01 29.21 1wxt s GLN 11 CO -0.00 0.55 1.53 0.28 -1.32 0.00 0.00 175.29 176.33 1wxt n VAL 12 N 2.56 0.76 -0.11 3.63 0.31 -0.44 -2.36 118.33 122.67 1wxt n VAL 12 Ca -0.18 -0.19 -0.14 0.00 -0.01 0.00 0.00 64.34 63.83 1wxt n VAL 12 Cb 0.53 -1.72 -0.14 0.00 -0.91 0.00 0.00 33.84 31.59 1wxt n VAL 12 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1wxt n LEU 13 N 2.50 1.41 -3.67 7.52 0.00 -0.12 -0.73 117.00 123.90 1wxt n LEU 13 Ca 0.12 -0.07 -0.23 0.00 0.00 0.00 0.00 56.01 55.83 1wxt n LEU 13 Cb 0.33 -0.16 -0.17 0.00 0.00 0.00 0.00 43.42 43.42 1wxt n LEU 13 CO 0.63 0.70 -0.35 -0.31 0.00 0.00 0.00 177.39 178.07 1wxt s TYR 14 N -2.50 0.30 0.17 1.96 2.02 -1.25 -4.70 117.35 113.35 1wxt s TYR 14 Ca -0.21 -0.13 -0.24 0.00 -0.37 0.00 0.00 57.07 56.12 1wxt s TYR 14 Cb 0.07 -0.66 -0.14 0.00 -0.40 0.00 0.00 41.96 40.83 1wxt s TYR 14 CO 0.71 -0.37 0.43 -1.91 -1.57 0.00 0.00 175.55 172.84 1wxt n GLU 15 N 5.24 0.00 -3.79 -0.62 0.00 -1.26 -4.67 120.64 115.54 1wxt n GLU 15 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.93 1wxt n GLU 15 Cb 0.49 -0.84 -0.17 0.00 0.00 0.00 0.00 31.44 30.92 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 -0.85 0.17 -0.39 4.31 5.36 -0.54 -4.90 117.98 121.14 1wxt s PHE 16 Ca 0.54 0.10 -0.16 0.00 -0.96 0.00 0.00 56.93 56.45 1wxt s PHE 16 Cb -0.78 -0.39 0.01 0.00 -0.34 0.00 0.00 43.02 41.52 1wxt s PHE 16 CO 0.47 -0.14 0.37 -1.21 -1.46 0.00 0.00 175.22 173.25 1wxt s GLU 17 N 1.38 3.25 0.31 10.12 2.02 -1.26 -2.17 118.70 132.34 1wxt s GLU 17 Ca -0.05 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 53.96 1wxt s GLU 17 Cb -0.13 -3.91 -0.10 0.00 0.10 0.00 0.00 34.13 30.10 1wxt s GLU 17 CO -0.03 -0.70 1.27 0.00 0.02 0.00 0.00 175.26 175.83 1wxt s ALA 18 N 1.98 3.49 -0.01 5.21 0.00 -1.26 -4.93 121.76 126.23 1wxt s ALA 18 Ca 0.10 1.18 0.06 0.00 0.00 0.00 0.00 51.96 53.30 1wxt s ALA 18 Cb -0.17 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 1wxt s ALA 18 CO 0.12 -0.54 0.13 2.89 0.00 0.00 0.00 175.76 178.36 1wxt n ARG 19 N 1.10 0.27 -3.38 0.00 0.00 -1.26 -4.91 116.66 108.48 1wxt n ARG 19 Ca 0.01 -0.06 -0.30 0.00 -0.00 0.00 0.00 57.85 57.51 1wxt n ARG 19 Cb 0.42 -1.15 -0.04 0.00 -0.00 0.00 0.00 32.46 31.70 1wxt n ARG 19 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1wxt s ASN 20 N -2.74 6.49 0.35 2.89 0.01 -1.26 -4.98 114.94 115.69 1wxt s ASN 20 Ca -0.02 0.75 0.27 0.00 -0.71 0.00 0.00 52.86 53.15 1wxt s ASN 20 Cb 0.04 -2.16 1.11 0.00 0.41 0.00 0.00 41.25 40.65 1wxt s ASN 20 CO 0.26 -0.15 1.80 1.55 -1.51 0.00 0.00 177.10 179.04 1wxt h PRO 21 N 1.96 0.00 -0.03 -0.60 0.13 -2.03 -2.29 132.00 129.14 1wxt h PRO 21 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wxt h PRO 21 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wxt h PRO 21 CO 0.67 0.00 -0.12 2.89 -0.23 0.00 0.00 178.00 181.21 1wxt n ARG 22 N -2.49 2.03 -2.70 0.86 1.85 -1.26 -4.96 116.66 109.99 1wxt n ARG 22 Ca 0.02 -1.69 -0.21 0.00 -1.00 0.00 0.00 57.85 54.97 1wxt n ARG 22 Cb 0.25 -1.46 0.03 0.00 -1.05 0.00 0.00 32.46 30.23 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 -2.10 2.60 -0.04 2.89 2.02 -0.86 -2.91 118.70 120.31 1wxt s GLU 23 Ca 0.25 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.44 1wxt s GLU 23 Cb 0.19 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.92 1wxt s GLU 23 CO 0.36 -0.64 -0.04 -1.17 0.02 0.00 0.00 175.26 173.79 1wxt s LEU 24 N -4.71 1.42 0.46 1.80 2.96 -1.26 -4.70 118.68 114.65 1wxt s LEU 24 Ca 0.56 -0.12 -0.23 0.00 -0.22 0.00 0.00 54.13 54.13 1wxt s LEU 24 Cb -0.10 -0.41 -0.07 0.00 0.50 0.00 0.00 46.19 46.11 1wxt s LEU 24 CO 0.38 -0.04 1.18 -0.89 -1.32 0.00 0.00 176.35 175.66 1wxt s THR 25 N 0.75 3.04 0.07 3.68 2.01 -1.26 -4.55 115.64 119.39 1wxt s THR 25 Ca -0.10 0.80 -0.12 0.00 0.31 0.00 0.00 61.69 62.58 1wxt s THR 25 Cb -0.13 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 68.99 1wxt s THR 25 CO 0.00 0.00 0.28 0.68 -0.69 0.00 0.00 174.62 174.90 1wxt s VAL 26 N -1.51 0.10 0.10 3.82 -7.23 -0.92 -4.99 120.40 109.76 1wxt s VAL 26 Ca 0.63 -0.82 0.07 0.00 -1.81 0.00 0.00 61.98 60.05 1wxt s VAL 26 Cb -0.30 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1wxt s VAL 26 CO 0.36 -0.45 -0.18 0.68 -0.31 0.00 0.00 175.10 175.20 1wxt s VAL 27 N -3.19 1.47 0.49 1.32 -7.23 -1.26 -1.46 120.40 110.54 1wxt s VAL 27 Ca -0.00 -1.49 -0.23 0.00 -1.81 0.00 0.00 61.98 58.45 1wxt s VAL 27 Cb 0.01 -1.39 -0.08 0.00 0.56 0.00 0.00 36.38 35.49 1wxt s VAL 27 CO -0.07 -0.16 1.14 1.67 -0.31 0.00 0.00 175.10 177.37 1wxt n GLN 28 N 1.08 1.47 0.00 4.82 7.27 -1.26 -1.75 117.38 129.01 1wxt n GLN 28 Ca -0.20 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.41 1wxt n GLN 28 Cb 0.54 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 30.91 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 1.02 2.83 3.75 1.69 0.00 0.09 -4.93 105.19 109.64 1wxt n GLY 29 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1wxt n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wxt s GLU 30 N -0.09 3.23 -0.13 1.61 2.56 -0.72 -4.75 118.70 120.41 1wxt s GLU 30 Ca 0.00 2.18 -0.06 0.00 0.00 0.00 0.00 54.97 57.09 1wxt s GLU 30 Cb 0.00 -2.28 -0.04 0.00 2.00 0.00 0.00 34.13 33.81 1wxt s GLU 30 CO 0.00 -1.10 0.10 0.15 -0.56 0.00 0.00 175.26 173.84 1wxt s LYS 31 N -2.88 3.52 0.33 4.30 1.02 -1.26 -1.33 119.74 123.44 1wxt s LYS 31 Ca 0.70 -0.24 0.05 0.00 0.02 0.00 0.00 55.97 56.51 1wxt s LYS 31 Cb -0.39 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 1wxt s LYS 31 CO 0.46 0.62 0.32 -0.51 -0.92 0.00 0.00 175.35 175.33 1wxt s LEU 32 N -0.60 1.56 -0.09 3.17 1.43 -0.89 -4.93 118.68 118.33 1wxt s LEU 32 Ca 0.12 -1.69 0.04 0.00 -1.03 0.00 0.00 54.13 51.57 1wxt s LEU 32 Cb -0.12 0.77 0.00 0.00 0.03 0.00 0.00 46.19 46.88 1wxt s LEU 32 CO 0.02 -1.12 -0.23 -0.70 0.23 0.00 0.00 176.35 174.55 1wxt s GLU 33 N -3.36 2.92 -0.04 1.70 2.12 -1.21 -2.85 118.70 117.98 1wxt s GLU 33 Ca 0.38 -0.85 -0.27 0.00 0.36 0.00 0.00 54.97 54.59 1wxt s GLU 33 Cb 0.02 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 32.15 1wxt s GLU 33 CO 0.26 0.18 0.86 0.08 -0.54 0.00 0.00 175.26 176.10 1wxt s VAL 34 N 0.33 4.94 -0.04 3.70 1.01 -0.28 -2.69 120.40 127.36 1wxt s VAL 34 Ca -0.18 1.79 -0.07 0.00 0.00 0.00 0.00 61.98 63.52 1wxt s VAL 34 Cb -0.18 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1wxt s VAL 34 CO 0.08 0.18 -0.13 0.18 0.00 0.00 0.00 175.10 175.41 1wxt n LEU 35 N 3.99 1.01 -4.05 3.92 4.77 0.29 -4.36 117.00 122.58 1wxt n LEU 35 Ca 0.03 0.16 -0.34 0.00 -0.03 0.00 0.00 56.01 55.83 1wxt n LEU 35 Cb 0.51 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 1wxt n LEU 35 CO 0.50 -0.48 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.38 1wxt s ASP 36 N -5.38 4.91 -0.73 -1.43 -1.08 -1.19 -4.95 116.67 106.83 1wxt s ASP 36 Ca -0.11 -2.80 -0.01 0.00 -0.52 0.00 0.00 52.55 49.11 1wxt s ASP 36 Cb 0.01 -1.77 0.40 0.00 -1.46 0.00 0.00 42.92 40.10 1wxt s ASP 36 CO 0.16 -0.34 1.92 0.00 0.52 0.00 0.00 175.17 177.43 1wxt n HIS 37 N 3.50 3.09 -0.01 -5.34 1.44 -1.26 -2.15 115.22 114.49 1wxt n HIS 37 Ca 0.06 -2.63 -0.01 0.00 -2.01 0.00 0.00 57.72 53.13 1wxt n HIS 37 Cb 0.36 -1.16 -0.00 0.00 0.12 0.00 0.00 29.99 29.31 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 -0.68 0.38 -4.55 4.39 2.88 -1.26 -5.05 113.62 109.73 1wxt n SER 38 Ca 0.56 0.06 -0.29 0.00 -1.33 0.00 0.00 58.87 57.86 1wxt n SER 38 Cb 0.45 -0.34 0.22 0.00 -0.75 0.00 0.00 64.21 63.79 1wxt n SER 38 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wxt s LYS 39 N -1.36 -0.23 0.18 -1.46 1.02 -1.26 -4.88 119.74 111.74 1wxt s LYS 39 Ca -0.04 1.15 -0.27 0.00 0.02 0.00 0.00 55.97 56.84 1wxt s LYS 39 Cb 0.01 -1.61 0.03 0.00 -0.52 0.00 0.00 37.83 35.73 1wxt s LYS 39 CO 0.06 -3.36 1.55 -0.09 -0.92 0.00 0.00 175.35 172.59 1wxt h ARG 40 N -2.37 -0.06 -6.31 1.68 1.12 -1.96 -3.38 114.38 103.10 1wxt h ARG 40 Ca -0.54 0.00 -0.55 0.00 -1.11 0.00 0.00 59.98 57.78 1wxt h ARG 40 Cb 1.31 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.24 1wxt h ARG 40 CO 0.46 -0.04 0.13 -1.58 -3.11 0.00 0.00 179.97 175.84 1wxt s TRP 41 N -5.68 3.77 0.04 2.20 0.52 -1.26 -4.36 118.94 114.17 1wxt s TRP 41 Ca -0.13 1.46 -0.09 0.00 0.02 0.00 0.00 56.10 57.36 1wxt s TRP 41 Cb 0.14 -2.77 -0.05 0.00 -1.15 0.00 0.00 33.47 29.64 1wxt s TRP 41 CO 0.65 0.35 0.34 -1.58 0.02 0.00 0.00 176.95 176.73 1wxt s TRP 42 N -0.33 3.59 -0.25 -1.98 0.52 -0.18 -4.74 118.94 115.57 1wxt s TRP 42 Ca 0.37 0.70 -0.10 0.00 0.02 0.00 0.00 56.10 57.09 1wxt s TRP 42 Cb -0.21 -2.09 -0.05 0.00 -1.15 0.00 0.00 33.47 29.98 1wxt s TRP 42 CO 0.23 0.57 0.15 -1.17 0.02 0.00 0.00 176.95 176.75 1wxt s LEU 43 N -1.78 3.95 0.23 2.99 2.96 -0.91 -0.71 118.68 125.41 1wxt s LEU 43 Ca 0.30 0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.30 1wxt s LEU 43 Cb -0.14 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1wxt s LEU 43 CO 0.17 0.01 -0.15 0.68 -1.32 0.00 0.00 176.35 175.74 1wxt s VAL 44 N 1.38 1.93 0.07 1.68 -7.23 -1.08 -0.55 120.40 116.60 1wxt s VAL 44 Ca 0.07 -2.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.02 1wxt s VAL 44 Cb -0.15 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 1wxt s VAL 44 CO 0.07 -0.52 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.48 1wxt s LYS 45 N -3.62 0.74 0.49 4.82 2.20 -1.09 -1.11 119.74 122.17 1wxt s LYS 45 Ca 0.25 -0.94 0.07 0.00 -0.36 0.00 0.00 55.97 54.99 1wxt s LYS 45 Cb -0.01 -0.60 0.07 0.00 -1.51 0.00 0.00 37.83 35.77 1wxt s LYS 45 CO 0.09 0.12 0.57 0.27 -0.36 0.00 0.00 175.35 176.04 1wxt n ASN 46 N 1.18 2.08 -0.21 1.43 0.23 -0.61 -3.30 115.26 116.05 1wxt n ASN 46 Ca -0.21 -2.44 -0.08 0.00 -0.53 0.00 0.00 54.58 51.32 1wxt n ASN 46 Cb 0.55 -0.24 0.03 0.00 -2.08 0.00 0.00 39.78 38.03 1wxt n ASN 46 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wxt h GLU 47 N 0.00 0.94 -0.80 -3.83 5.08 -1.92 -2.54 114.58 111.51 1wxt h GLU 47 Ca -0.26 -0.22 0.21 0.00 -1.00 0.00 0.00 59.36 58.09 1wxt h GLU 47 Cb 1.09 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1wxt h GLU 47 CO 0.39 0.86 0.56 0.00 -1.00 0.00 0.00 179.01 179.81 1wxt h ALA 48 N 1.04 2.55 0.00 3.43 0.00 -2.04 -3.45 119.26 120.80 1wxt h ALA 48 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wxt h ALA 48 Cb 0.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wxt h ALA 48 CO -0.00 -0.78 0.00 0.41 0.00 0.00 0.00 179.25 178.88 1wxt n GLY 49 N -1.63 1.34 3.75 0.00 0.00 -0.96 -5.11 105.19 102.58 1wxt n GLY 49 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.33 3.97 -0.06 1.61 0.52 -1.26 -4.88 118.95 118.53 1wxt s ARG 50 Ca 0.00 -0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.02 1wxt s ARG 50 Cb 0.00 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 1wxt s ARG 50 CO 0.00 0.41 -0.13 -1.54 0.02 0.00 0.00 175.30 174.06 1wxt s SER 51 N 0.03 4.14 0.00 0.23 1.04 -1.26 -1.57 113.70 116.31 1wxt s SER 51 Ca 0.09 -0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.28 1wxt s SER 51 Cb -0.11 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1wxt s SER 51 CO -0.00 0.34 0.13 -0.83 0.98 0.00 0.00 173.24 173.86 1wxt s GLY 52 N -0.69 0.06 0.07 7.32 0.00 -0.27 -4.74 107.32 109.08 1wxt s GLY 52 Ca 0.10 -0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.36 1wxt s GLY 52 CO 0.01 -0.30 1.11 -0.19 0.00 0.00 0.00 173.10 173.73 1wxt s TYR 53 N -1.42 3.54 0.02 1.90 2.02 -1.14 -2.63 117.35 119.63 1wxt s TYR 53 Ca -0.15 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.04 1wxt s TYR 53 Cb -0.08 -3.30 -0.01 0.00 -0.40 0.00 0.00 41.96 38.17 1wxt s TYR 53 CO 0.01 -0.75 -0.03 0.96 -1.57 0.00 0.00 175.55 174.17 1wxt s ILE 54 N 0.72 0.16 -0.02 2.71 -4.36 0.11 -4.25 121.20 116.27 1wxt s ILE 54 Ca 0.54 -0.66 -0.30 0.00 -0.26 0.00 0.00 60.65 59.98 1wxt s ILE 54 Cb -0.27 -0.25 -0.05 0.00 1.25 0.00 0.00 42.46 43.14 1wxt s ILE 54 CO 0.30 -0.32 1.46 -2.16 0.24 0.00 0.00 174.94 174.47 1wxt s PRO 55 N -1.02 4.25 0.35 0.37 0.04 -1.26 -1.01 135.00 136.72 1wxt s PRO 55 Ca -0.10 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.12 1wxt s PRO 55 Cb -0.07 -3.68 0.90 0.00 0.04 0.00 0.00 34.50 31.68 1wxt s PRO 55 CO -0.01 -0.66 1.43 1.03 0.04 0.00 0.00 177.00 178.83 1wxt h SER 56 N 8.28 0.00 0.05 6.66 0.87 -1.91 0.31 113.55 127.81 1wxt h SER 56 Ca -0.37 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1wxt h SER 56 Cb 1.17 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1wxt h SER 56 CO 0.92 0.00 -0.00 0.78 -0.53 0.00 0.00 176.83 178.00 1wxt h ASN 57 N 0.00 0.00 -0.30 6.23 2.35 -1.93 0.08 115.58 122.01 1wxt h ASN 57 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wxt h ASN 57 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1wxt h ASN 57 CO 0.00 0.00 0.00 2.30 -1.65 0.00 0.00 177.43 178.08 1wxt n ILE 58 N -3.29 2.14 -3.99 2.81 -5.35 0.10 -4.86 119.36 106.91 1wxt n ILE 58 Ca -0.03 -1.71 -0.34 0.00 -0.27 0.00 0.00 62.75 60.40 1wxt n ILE 58 Cb 0.09 -0.14 -0.15 0.00 -1.74 0.00 0.00 39.64 37.70 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 -2.55 2.68 0.15 7.28 1.43 0.01 -0.95 118.68 126.72 1wxt s LEU 59 Ca 0.41 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1wxt s LEU 59 Cb 0.32 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1wxt s LEU 59 CO 0.11 -0.03 0.04 -1.83 0.23 0.00 0.00 176.35 174.87 1wxt s GLU 60 N 1.39 2.60 -1.18 1.70 -1.05 -1.00 -4.92 118.70 116.25 1wxt s GLU 60 Ca 0.05 -0.96 -0.23 0.00 -0.15 0.00 0.00 54.97 53.68 1wxt s GLU 60 Cb -0.14 -2.50 -0.09 0.00 -0.44 0.00 0.00 34.13 30.96 1wxt s GLU 60 CO -0.07 0.49 1.93 -0.35 0.95 0.00 0.00 175.26 178.21 1wxt n PRO 61 N -0.01 1.60 -1.33 -4.83 -0.04 -1.26 -3.08 135.00 126.05 1wxt n PRO 61 Ca -0.09 -2.46 -0.50 0.00 -0.04 0.00 0.00 63.50 60.41 1wxt n PRO 61 Cb 0.54 -3.72 -0.05 0.00 -0.04 0.00 0.00 33.50 30.23 1wxt n PRO 61 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1wxt n LEU 62 N 14.27 -0.49 -4.40 1.53 0.00 -1.26 -4.96 117.00 121.68 1wxt n LEU 62 Ca 0.45 1.05 -0.20 0.00 0.00 0.00 0.00 56.01 57.31 1wxt n LEU 62 Cb 0.46 -0.85 -0.10 0.00 0.00 0.00 0.00 43.42 42.93 1wxt n LEU 62 CO 0.69 -2.17 -0.33 -0.94 0.00 0.00 0.00 177.39 174.64 1wxt s SER 63 N -0.39 2.39 0.52 1.96 1.04 -1.26 -4.99 113.70 112.97 1wxt s SER 63 Ca 0.73 -1.24 -0.21 0.00 0.48 0.00 0.00 55.95 55.70 1wxt s SER 63 Cb -1.03 -0.10 -0.07 0.00 0.10 0.00 0.00 66.02 64.92 1wxt s SER 63 CO 0.52 -0.45 1.02 0.61 0.98 0.00 0.00 173.24 175.92 1wxt n GLY 64 N -0.55 -0.16 0.07 7.32 0.00 -1.26 -4.94 105.19 105.67 1wxt n GLY 64 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 1.08 -0.03 -5.26 1.61 0.13 -2.05 -3.47 132.00 124.01 1wxt h PRO 65 Ca -0.47 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.26 1wxt h PRO 65 Cb 1.34 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.34 1wxt h PRO 65 CO 0.54 0.44 -0.69 -1.54 -0.23 0.00 0.00 178.00 176.53 1wxt s SER 66 N -5.65 2.17 0.70 1.44 1.04 -1.26 -5.12 113.70 107.01 1wxt s SER 66 Ca -0.16 -1.12 -0.17 0.00 0.48 0.00 0.00 55.95 54.98 1wxt s SER 66 Cb 0.02 -0.06 -0.12 0.00 0.10 0.00 0.00 66.02 65.96 1wxt s SER 66 CO 0.66 -0.36 -0.11 -1.20 0.98 0.00 0.00 173.24 173.20 1wxt n SER 67 N -0.39 -3.56 0.00 7.02 7.64 -1.26 -5.24 113.62 117.82 1wxt n SER 67 Ca -0.07 0.51 0.16 0.00 1.01 0.00 0.00 58.87 60.48 1wxt n SER 67 Cb 0.62 -0.93 0.95 0.00 -1.01 0.00 0.00 64.21 63.84 1wxt n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64