#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxt n SER 2 N 0.00 -1.81 -4.78 1.61 7.64 -1.26 -4.89 113.62 110.13 1wxt n SER 2 Ca 0.00 0.02 -0.26 0.00 1.01 0.00 0.00 58.87 59.64 1wxt n SER 2 Cb 0.00 -1.62 -0.06 0.00 -1.01 0.00 0.00 64.21 61.52 1wxt n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxt s SER 3 N -2.33 5.41 0.00 6.43 0.15 -1.26 -5.03 113.70 117.07 1wxt s SER 3 Ca 0.21 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1wxt s SER 3 Cb -0.12 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 1wxt s SER 3 CO 0.26 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1wxt n GLY 4 N -0.38 0.23 3.09 9.45 0.00 -1.26 -5.02 105.19 111.29 1wxt n GLY 4 Ca -0.08 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.00 5.16 0.33 1.61 0.01 -1.26 -5.05 113.70 110.49 1wxt s SER 5 Ca 0.00 -2.67 0.00 0.00 1.31 0.00 0.00 55.95 54.59 1wxt s SER 5 Cb 0.00 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 1wxt s SER 5 CO 0.00 -0.40 0.39 -0.94 0.41 0.00 0.00 173.24 172.71 1wxt s SER 6 N 0.87 1.09 0.00 2.44 1.04 -1.26 -5.14 113.70 112.73 1wxt s SER 6 Ca 0.15 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 55.03 1wxt s SER 6 Cb -0.21 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1wxt s SER 6 CO -0.03 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.60 1wxt n GLY 7 N -0.56 0.30 3.89 7.32 0.00 -1.26 -4.99 105.19 109.88 1wxt n GLY 7 Ca 0.03 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.39 4.34 0.05 0.99 2.96 -1.26 -5.05 118.68 119.33 1wxt s LEU 8 Ca 0.00 0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1wxt s LEU 8 Cb 0.00 -2.89 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 1wxt s LEU 8 CO 0.00 0.19 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.64 1wxt s LYS 9 N -2.05 0.56 0.01 1.98 1.02 -1.26 -1.34 119.74 118.66 1wxt s LYS 9 Ca 0.32 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.14 1wxt s LYS 9 Cb -0.13 0.10 0.01 0.00 -0.52 0.00 0.00 37.83 37.29 1wxt s LYS 9 CO 0.19 -0.07 0.25 -1.64 -0.92 0.00 0.00 175.35 173.16 1wxt s MET 10 N -3.12 0.66 -0.16 1.68 -1.94 0.05 -4.32 119.30 112.15 1wxt s MET 10 Ca 0.01 -0.39 -0.05 0.00 -1.71 0.00 0.00 55.69 53.55 1wxt s MET 10 Cb 0.02 0.28 -0.03 0.00 2.01 0.00 0.00 34.83 37.11 1wxt s MET 10 CO -0.06 -0.19 -0.01 1.14 -0.01 0.00 0.00 175.02 175.89 1wxt s GLN 11 N -1.83 3.73 0.72 2.03 -2.07 -1.17 -0.82 119.66 120.25 1wxt s GLN 11 Ca -0.10 -0.48 -0.16 0.00 -1.82 0.00 0.00 55.36 52.80 1wxt s GLN 11 Cb -0.04 -2.98 0.02 0.00 -1.09 0.00 0.00 33.01 28.92 1wxt s GLN 11 CO 0.01 0.26 1.17 0.28 -1.32 0.00 0.00 175.29 175.69 1wxt n VAL 12 N 3.49 3.40 0.00 3.63 0.31 0.99 -1.96 118.33 128.20 1wxt n VAL 12 Ca -0.17 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1wxt n VAL 12 Cb 0.52 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 -2.29 2.64 -3.95 7.52 7.94 -1.12 -2.10 117.00 125.65 1wxt n LEU 13 Ca 0.14 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.77 1wxt n LEU 13 Cb 0.49 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.27 1wxt n LEU 13 CO 0.48 0.44 -0.45 -0.31 -1.11 0.00 0.00 177.39 176.44 1wxt s TYR 14 N -1.98 1.65 0.32 1.96 2.02 -1.26 -4.66 117.35 115.40 1wxt s TYR 14 Ca 0.00 -0.84 -0.26 0.00 -0.37 0.00 0.00 57.07 55.60 1wxt s TYR 14 Cb 0.00 -1.31 -0.14 0.00 -0.40 0.00 0.00 41.96 40.11 1wxt s TYR 14 CO 0.00 -0.53 0.80 -1.91 -1.57 0.00 0.00 175.55 172.34 1wxt n GLU 15 N 4.79 0.91 -4.12 -0.62 2.13 -1.26 -4.60 120.64 117.88 1wxt n GLU 15 Ca -0.14 0.32 -0.14 0.00 0.66 0.00 0.00 57.16 57.86 1wxt n GLU 15 Cb 0.50 -1.63 -0.11 0.00 0.27 0.00 0.00 31.44 30.47 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 -1.18 0.88 -0.40 4.31 5.36 -0.98 -4.93 117.98 121.05 1wxt s PHE 16 Ca 0.61 -0.57 0.03 0.00 -0.96 0.00 0.00 56.93 56.05 1wxt s PHE 16 Cb -0.70 -0.51 0.11 0.00 -0.34 0.00 0.00 43.02 41.59 1wxt s PHE 16 CO 0.58 -0.04 0.13 -2.00 -1.46 0.00 0.00 175.22 172.43 1wxt s GLU 17 N -2.09 1.50 0.30 10.12 2.12 -1.26 -3.37 118.70 126.02 1wxt s GLU 17 Ca -0.03 -2.00 -0.29 0.00 0.36 0.00 0.00 54.97 53.01 1wxt s GLU 17 Cb -0.07 -3.00 -0.13 0.00 0.26 0.00 0.00 34.13 31.20 1wxt s GLU 17 CO 0.00 -1.01 1.38 0.00 -0.54 0.00 0.00 175.26 175.09 1wxt n ALA 18 N 3.94 1.43 0.08 6.30 0.00 -1.26 -4.90 120.51 126.11 1wxt n ALA 18 Ca 0.04 0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.87 1wxt n ALA 18 Cb 0.39 -2.29 -0.00 0.00 0.00 0.00 0.00 19.45 17.54 1wxt n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wxt n ARG 19 N 1.30 3.61 -4.06 0.00 0.00 -1.26 -4.91 116.66 111.34 1wxt n ARG 19 Ca 0.08 -0.24 -0.27 0.00 -0.00 0.00 0.00 57.85 57.41 1wxt n ARG 19 Cb 0.35 -0.76 -0.06 0.00 -0.00 0.00 0.00 32.46 31.99 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 -0.78 5.60 0.53 2.89 0.01 -1.26 -5.01 114.94 116.92 1wxt s ASN 20 Ca 0.01 -0.07 0.32 0.00 -0.71 0.00 0.00 52.86 52.41 1wxt s ASN 20 Cb 0.01 -1.50 1.32 0.00 0.41 0.00 0.00 41.25 41.49 1wxt s ASN 20 CO 0.05 0.10 1.97 1.55 -1.51 0.00 0.00 177.10 179.26 1wxt h PRO 21 N 2.64 0.00 -0.00 -0.60 0.13 -2.04 -2.56 132.00 129.57 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wxt h PRO 21 CO 0.65 0.06 -0.75 2.89 -0.23 0.00 0.00 178.00 180.62 1wxt n ARG 22 N -3.19 0.15 -2.68 0.86 1.85 -1.26 -4.94 116.66 107.45 1wxt n ARG 22 Ca 0.00 -0.11 -0.25 0.00 -1.00 0.00 0.00 57.85 56.49 1wxt n ARG 22 Cb 0.32 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.25 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 -2.93 3.02 -0.02 2.89 2.02 -0.97 -3.05 118.70 119.66 1wxt s GLU 23 Ca 0.11 -0.22 0.04 0.00 0.02 0.00 0.00 54.97 54.92 1wxt s GLU 23 Cb 0.17 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 1wxt s GLU 23 CO 0.77 -0.48 -0.15 -1.17 0.02 0.00 0.00 175.26 174.25 1wxt s LEU 24 N -4.78 1.97 0.36 1.80 2.96 -1.26 -4.70 118.68 115.03 1wxt s LEU 24 Ca 0.51 -0.28 -0.25 0.00 -0.22 0.00 0.00 54.13 53.90 1wxt s LEU 24 Cb -0.10 -0.79 -0.10 0.00 0.50 0.00 0.00 46.19 45.70 1wxt s LEU 24 CO 0.42 0.16 0.96 -0.89 -1.32 0.00 0.00 176.35 175.68 1wxt s THR 25 N -0.18 4.17 0.26 3.68 2.01 -1.26 -4.51 115.64 119.80 1wxt s THR 25 Ca 0.02 1.66 -0.08 0.00 0.31 0.00 0.00 61.69 63.60 1wxt s THR 25 Cb -0.07 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1wxt s THR 25 CO 0.00 0.01 0.41 0.68 -0.69 0.00 0.00 174.62 175.03 1wxt s VAL 26 N -1.76 0.00 0.04 3.82 -7.23 -1.22 -5.00 120.40 109.06 1wxt s VAL 26 Ca 0.54 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1wxt s VAL 26 Cb -0.17 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1wxt s VAL 26 CO 0.22 0.00 -0.01 0.68 -0.31 0.00 0.00 175.10 175.68 1wxt s VAL 27 N -3.86 0.18 0.56 1.32 -7.23 -1.26 -2.31 120.40 107.80 1wxt s VAL 27 Ca 0.27 -1.46 -0.20 0.00 -1.81 0.00 0.00 61.98 58.78 1wxt s VAL 27 Cb 0.01 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 1wxt s VAL 27 CO 0.12 -0.80 1.14 1.67 -0.31 0.00 0.00 175.10 176.92 1wxt n GLN 28 N 0.61 1.26 0.00 4.82 7.27 -1.26 -2.28 117.38 127.81 1wxt n GLN 28 Ca -0.17 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1wxt n GLN 28 Cb 0.59 -2.33 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 1.05 1.78 3.74 1.69 0.00 -0.89 -4.95 105.19 107.61 1wxt n GLY 29 Ca 0.12 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 2.95 0.13 1.61 2.12 -0.96 -4.61 118.70 119.93 1wxt s GLU 30 Ca 0.00 2.15 0.07 0.00 0.36 0.00 0.00 54.97 57.55 1wxt s GLU 30 Cb 0.00 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.25 1wxt s GLU 30 CO 0.00 -1.32 -0.04 0.15 -0.54 0.00 0.00 175.26 173.51 1wxt s LYS 31 N -3.08 2.32 0.09 4.30 1.02 -1.26 -0.00 119.74 123.12 1wxt s LYS 31 Ca 0.75 -1.01 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 1wxt s LYS 31 Cb -0.39 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1wxt s LYS 31 CO 0.44 0.50 0.27 -0.51 -0.92 0.00 0.00 175.35 175.13 1wxt s LEU 32 N -2.49 1.03 -0.18 3.17 1.43 0.00 -4.96 118.68 116.68 1wxt s LEU 32 Ca 0.25 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1wxt s LEU 32 Cb -0.11 1.32 -0.04 0.00 0.03 0.00 0.00 46.19 47.39 1wxt s LEU 32 CO 0.17 -0.73 0.31 -0.70 0.23 0.00 0.00 176.35 175.63 1wxt s GLU 33 N -3.52 4.22 0.26 1.70 2.12 -1.13 -0.77 118.70 121.58 1wxt s GLU 33 Ca 0.02 0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.20 1wxt s GLU 33 Cb 0.03 -3.47 -0.09 0.00 0.26 0.00 0.00 34.13 30.86 1wxt s GLU 33 CO -0.09 0.14 0.84 0.08 -0.54 0.00 0.00 175.26 175.69 1wxt s VAL 34 N 0.77 4.35 0.08 3.70 1.01 -0.45 -1.68 120.40 128.18 1wxt s VAL 34 Ca 0.16 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1wxt s VAL 34 Cb -0.14 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1wxt s VAL 34 CO 0.05 0.24 0.00 0.18 0.00 0.00 0.00 175.10 175.57 1wxt n LEU 35 N 0.81 0.64 -4.03 3.92 4.77 0.11 -4.45 117.00 118.77 1wxt n LEU 35 Ca -0.01 0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1wxt n LEU 35 Cb 0.50 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1wxt n LEU 35 CO 0.44 -0.52 -0.04 -0.62 -1.33 0.00 0.00 177.39 175.33 1wxt s ASP 36 N -5.59 4.85 -0.63 -1.43 -1.08 -1.18 -4.93 116.67 106.69 1wxt s ASP 36 Ca 0.00 -3.01 0.00 0.00 -0.52 0.00 0.00 52.55 49.02 1wxt s ASP 36 Cb 0.00 -1.76 0.43 0.00 -1.46 0.00 0.00 42.92 40.13 1wxt s ASP 36 CO 0.00 -0.29 1.82 0.00 0.52 0.00 0.00 175.17 177.22 1wxt n HIS 37 N 3.20 3.11 -0.04 -5.34 1.44 -1.26 -2.20 115.22 114.13 1wxt n HIS 37 Ca 0.08 -2.74 -0.07 0.00 -2.01 0.00 0.00 57.72 52.98 1wxt n HIS 37 Cb 0.35 -1.10 -0.02 0.00 0.12 0.00 0.00 29.99 29.34 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 -0.76 1.54 -4.62 4.39 2.88 -1.26 -5.04 113.62 110.74 1wxt n SER 38 Ca 0.56 0.25 -0.28 0.00 -1.33 0.00 0.00 58.87 58.06 1wxt n SER 38 Cb 0.61 -0.57 0.20 0.00 -0.75 0.00 0.00 64.21 63.71 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 -2.51 -0.03 0.10 -1.46 3.01 -1.26 -4.93 119.74 112.66 1wxt s LYS 39 Ca -0.18 0.56 -0.20 0.00 -1.01 0.00 0.00 55.97 55.14 1wxt s LYS 39 Cb 0.03 -1.68 -0.05 0.00 -1.01 0.00 0.00 37.83 35.13 1wxt s LYS 39 CO 0.26 -3.05 1.34 -0.09 0.51 0.00 0.00 175.35 174.32 1wxt h ARG 40 N -2.13 -0.04 -6.88 1.68 9.65 -1.96 -3.39 114.38 111.31 1wxt h ARG 40 Ca -0.57 0.00 -0.47 0.00 -1.10 0.00 0.00 59.98 57.84 1wxt h ARG 40 Cb 1.34 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.90 1wxt h ARG 40 CO 0.56 -0.03 0.27 -1.58 2.80 0.00 0.00 179.97 181.99 1wxt s TRP 41 N -4.59 3.49 -0.10 2.20 0.52 -1.26 -4.52 118.94 114.69 1wxt s TRP 41 Ca -0.08 1.57 -0.03 0.00 0.02 0.00 0.00 56.10 57.58 1wxt s TRP 41 Cb 0.07 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 1wxt s TRP 41 CO 0.39 0.09 0.04 -1.58 0.02 0.00 0.00 176.95 175.91 1wxt s TRP 42 N -1.87 3.29 -0.23 -1.98 0.52 0.00 -4.69 118.94 113.98 1wxt s TRP 42 Ca 0.54 0.29 -0.11 0.00 0.02 0.00 0.00 56.10 56.84 1wxt s TRP 42 Cb -0.13 -1.84 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 1wxt s TRP 42 CO 0.18 0.55 0.18 -1.17 0.02 0.00 0.00 176.95 176.71 1wxt s LEU 43 N -0.92 4.13 0.31 2.99 2.96 -0.94 0.37 118.68 127.59 1wxt s LEU 43 Ca 0.14 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 1wxt s LEU 43 Cb -0.12 -2.14 -0.06 0.00 0.50 0.00 0.00 46.19 44.38 1wxt s LEU 43 CO 0.03 0.06 0.03 0.68 -1.32 0.00 0.00 176.35 175.83 1wxt s VAL 44 N 1.02 1.26 0.09 1.68 -7.23 -0.63 0.04 120.40 116.63 1wxt s VAL 44 Ca 0.08 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1wxt s VAL 44 Cb -0.13 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1wxt s VAL 44 CO 0.04 -0.08 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.94 1wxt s LYS 45 N -3.86 0.79 0.35 4.82 2.20 -0.67 -1.45 119.74 121.92 1wxt s LYS 45 Ca 0.35 -1.27 0.02 0.00 -0.36 0.00 0.00 55.97 54.71 1wxt s LYS 45 Cb 0.08 -0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.23 1wxt s LYS 45 CO 0.14 -0.02 0.17 0.27 -0.36 0.00 0.00 175.35 175.56 1wxt n ASN 46 N 0.12 2.44 -0.05 1.43 0.23 -0.99 -2.83 115.26 115.61 1wxt n ASN 46 Ca -0.13 -2.33 -0.04 0.00 -0.53 0.00 0.00 54.58 51.55 1wxt n ASN 46 Cb 0.60 0.07 0.19 0.00 -2.08 0.00 0.00 39.78 38.56 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 0.65 -0.96 -3.83 3.07 -1.93 -2.82 114.58 108.76 1wxt h GLU 47 Ca -0.25 -0.20 0.05 0.00 -0.50 0.00 0.00 59.36 58.46 1wxt h GLU 47 Cb 0.84 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.63 1wxt h GLU 47 CO 0.40 0.74 0.62 0.00 -1.40 0.00 0.00 179.01 179.38 1wxt h ALA 48 N 1.29 1.41 0.00 3.43 0.00 -2.04 -3.46 119.26 119.89 1wxt h ALA 48 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wxt h ALA 48 Cb 0.54 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wxt h ALA 48 CO 0.03 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1wxt n GLY 49 N -1.38 1.38 3.71 0.00 0.00 -1.07 -5.11 105.19 102.73 1wxt n GLY 49 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 4.53 -0.12 1.61 3.00 -1.26 -4.79 118.95 121.91 1wxt s ARG 50 Ca 0.00 1.55 0.03 0.00 0.00 0.00 0.00 55.73 57.31 1wxt s ARG 50 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 34.95 31.55 1wxt s ARG 50 CO 0.00 -0.10 -0.21 -1.54 0.00 0.00 0.00 175.30 173.45 1wxt s SER 51 N 0.92 2.98 0.26 0.23 1.04 -1.26 -2.35 113.70 115.52 1wxt s SER 51 Ca 0.54 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 56.45 1wxt s SER 51 Cb -0.24 -1.37 -0.05 0.00 0.10 0.00 0.00 66.02 64.45 1wxt s SER 51 CO 0.29 0.09 0.00 -0.83 0.98 0.00 0.00 173.24 173.77 1wxt s GLY 52 N 0.71 1.70 -0.41 7.32 0.00 -0.53 -4.79 107.32 111.32 1wxt s GLY 52 Ca -0.10 -1.84 -0.20 0.00 0.00 0.00 0.00 44.72 42.57 1wxt s GLY 52 CO 0.01 -1.72 0.62 -0.19 0.00 0.00 0.00 173.10 171.83 1wxt s TYR 53 N -3.35 3.10 0.13 1.90 2.02 -1.17 -1.61 117.35 118.37 1wxt s TYR 53 Ca 0.30 0.06 0.08 0.00 -0.37 0.00 0.00 57.07 57.14 1wxt s TYR 53 Cb 0.06 -3.24 -0.04 0.00 -0.40 0.00 0.00 41.96 38.34 1wxt s TYR 53 CO 0.11 -0.77 -0.12 0.96 -1.57 0.00 0.00 175.55 174.16 1wxt s ILE 54 N 2.73 3.21 -0.05 2.71 -4.36 0.16 -4.51 121.20 121.09 1wxt s ILE 54 Ca 0.22 -1.42 -0.30 0.00 -0.26 0.00 0.00 60.65 58.90 1wxt s ILE 54 Cb -0.14 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 1wxt s ILE 54 CO 0.17 0.05 1.49 -2.16 0.24 0.00 0.00 174.94 174.73 1wxt s PRO 55 N -2.35 4.23 0.53 0.37 0.04 -1.26 -0.82 135.00 135.74 1wxt s PRO 55 Ca 0.21 2.02 0.19 0.00 0.04 0.00 0.00 61.00 63.46 1wxt s PRO 55 Cb -0.10 -3.77 1.06 0.00 0.04 0.00 0.00 34.50 31.72 1wxt s PRO 55 CO 0.13 -0.71 1.55 1.03 0.04 0.00 0.00 177.00 179.04 1wxt h SER 56 N 8.59 0.00 -0.40 6.66 0.87 -1.89 0.13 113.55 127.51 1wxt h SER 56 Ca -0.36 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.23 1wxt h SER 56 Cb 1.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1wxt h SER 56 CO 0.94 0.00 0.27 -1.13 -0.53 0.00 0.00 176.83 176.37 1wxt h ASN 57 N 0.00 0.35 -0.90 6.23 -0.73 -1.94 -0.90 115.58 117.69 1wxt h ASN 57 Ca 0.00 -0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.68 1wxt h ASN 57 Cb 0.82 -0.08 -0.28 0.00 0.27 0.00 0.00 38.32 39.05 1wxt h ASN 57 CO 0.00 0.24 0.62 2.30 -0.37 0.00 0.00 177.43 180.22 1wxt n ILE 58 N -4.48 3.06 -4.24 2.57 -5.35 0.45 -4.86 119.36 106.51 1wxt n ILE 58 Ca 0.04 -1.86 -0.23 0.00 -0.27 0.00 0.00 62.75 60.43 1wxt n ILE 58 Cb 0.17 -0.61 -0.17 0.00 -1.74 0.00 0.00 39.64 37.29 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 -3.04 1.36 0.23 7.28 1.43 -0.34 -2.79 118.68 122.81 1wxt s LEU 59 Ca 0.52 -0.22 0.10 0.00 -1.03 0.00 0.00 54.13 53.51 1wxt s LEU 59 Cb 0.44 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1wxt s LEU 59 CO 0.09 -0.04 -0.09 -1.61 0.23 0.00 0.00 176.35 174.92 1wxt s GLU 60 N 1.04 2.05 -1.07 1.70 0.41 -0.83 -4.96 118.70 117.05 1wxt s GLU 60 Ca -0.08 -1.44 -0.23 0.00 -0.41 0.00 0.00 54.97 52.80 1wxt s GLU 60 Cb -0.14 -2.07 -0.07 0.00 -1.78 0.00 0.00 34.13 30.07 1wxt s GLU 60 CO -0.00 0.38 1.94 -1.25 -0.49 0.00 0.00 175.26 175.84 1wxt s PRO 61 N -3.29 2.53 -0.15 0.39 0.04 -1.26 -3.07 135.00 130.19 1wxt s PRO 61 Ca 0.28 -0.80 -0.31 0.00 0.04 0.00 0.00 61.00 60.21 1wxt s PRO 61 Cb -0.07 -5.17 -0.09 0.00 0.04 0.00 0.00 34.50 29.22 1wxt s PRO 61 CO 0.17 -3.72 2.08 -0.11 0.04 0.00 0.00 177.00 175.45 1wxt n LEU 62 N 14.19 3.36 -4.54 -3.56 7.94 -1.26 -4.96 117.00 128.17 1wxt n LEU 62 Ca 0.43 0.59 -0.28 0.00 -1.11 0.00 0.00 56.01 55.64 1wxt n LEU 62 Cb 0.47 -1.46 -0.10 0.00 0.53 0.00 0.00 43.42 42.85 1wxt n LEU 62 CO 0.64 -0.33 -0.44 -0.94 -1.11 0.00 0.00 177.39 175.21 1wxt s SER 63 N 6.23 4.09 0.00 1.96 1.04 -1.26 -4.94 113.70 120.82 1wxt s SER 63 Ca 0.97 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1wxt s SER 63 Cb -0.52 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 64.96 1wxt s SER 63 CO 0.43 0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.39 1wxt n GLY 64 N 0.31 3.53 3.62 7.32 0.00 -1.26 -5.11 105.19 113.60 1wxt n GLY 64 Ca -0.12 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.63 3.62 0.06 1.61 0.04 -1.26 -5.00 135.00 132.44 1wxt s PRO 65 Ca 0.00 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.55 1wxt s PRO 65 Cb 0.00 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 1wxt s PRO 65 CO 0.00 -1.50 0.15 -1.12 0.04 0.00 0.00 177.00 174.57 1wxt s SER 66 N 4.78 6.02 -0.78 6.66 0.01 -1.26 -4.99 113.70 124.14 1wxt s SER 66 Ca 0.73 0.17 -0.28 0.00 1.31 0.00 0.00 55.95 57.88 1wxt s SER 66 Cb -0.23 -1.77 -0.16 0.00 0.21 0.00 0.00 66.02 64.07 1wxt s SER 66 CO 0.31 0.18 2.54 -1.54 0.41 0.00 0.00 173.24 175.15 1wxt n SER 67 N 0.46 1.09 0.00 2.44 3.41 -1.26 -5.28 113.62 114.48 1wxt n SER 67 Ca -0.07 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1wxt n SER 67 Cb 0.51 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1wxt n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49