#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 7.29 -1.13 1.61 0.01 -1.26 -3.54 113.70 116.68 1wxt s SER 2 Ca 0.00 2.24 -0.04 0.00 1.31 0.00 0.00 55.95 59.46 1wxt s SER 2 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1wxt s SER 2 CO 0.00 -0.13 0.96 -1.20 0.41 0.00 0.00 173.24 173.28 1wxt n SER 3 N 1.30 -3.74 0.00 2.44 7.64 -1.26 -4.84 113.62 115.17 1wxt n SER 3 Ca -0.01 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.35 1wxt n SER 3 Cb 0.45 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 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 -1.44 3.34 3.55 0.23 0.00 -1.23 -4.96 105.19 104.67 1wxt n GLY 4 Ca -0.14 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 1wxt n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wxt n SER 5 N 0.00 2.27 -4.16 1.61 3.41 -1.25 -3.94 113.62 111.56 1wxt n SER 5 Ca 0.00 -0.48 -0.44 0.00 -0.26 0.00 0.00 58.87 57.69 1wxt n SER 5 Cb 0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.39 1wxt n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wxt n SER 6 N 15.76 5.87 -4.22 4.04 7.64 -1.26 -4.78 113.62 136.67 1wxt n SER 6 Ca 0.38 -3.21 -0.24 0.00 1.01 0.00 0.00 58.87 56.81 1wxt n SER 6 Cb 0.53 -1.36 -0.14 0.00 -1.01 0.00 0.00 64.21 62.24 1wxt n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wxt s GLY 7 N 0.01 1.03 -0.09 0.23 0.00 -1.26 -4.63 107.32 102.60 1wxt s GLY 7 Ca 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1wxt s GLY 7 CO 0.02 -0.95 -0.08 -2.27 0.00 0.00 0.00 173.10 169.82 1wxt s LEU 8 N -1.22 1.25 -0.06 0.66 1.98 -1.26 -5.08 118.68 114.95 1wxt s LEU 8 Ca 0.06 -0.27 0.05 0.00 -2.89 0.00 0.00 54.13 51.08 1wxt s LEU 8 Cb -0.09 -0.77 -0.02 0.00 0.66 0.00 0.00 46.19 45.97 1wxt s LEU 8 CO 0.02 -0.09 -0.22 -0.54 -1.89 0.00 0.00 176.35 173.63 1wxt s LYS 9 N 1.44 2.54 0.11 1.98 -0.14 -1.26 -0.67 119.74 123.74 1wxt s LYS 9 Ca -0.01 -0.85 -0.02 0.00 -1.36 0.00 0.00 55.97 53.74 1wxt s LYS 9 Cb -0.13 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.75 1wxt s LYS 9 CO -0.05 0.44 0.06 -1.64 -0.76 0.00 0.00 175.35 173.41 1wxt s MET 10 N -0.31 0.87 0.13 1.68 -1.94 -0.57 -3.84 119.30 115.33 1wxt s MET 10 Ca 0.01 -1.35 0.09 0.00 -1.71 0.00 0.00 55.69 52.73 1wxt s MET 10 Cb -0.13 0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.92 1wxt s MET 10 CO 0.02 -0.24 -0.17 1.14 -0.01 0.00 0.00 175.02 175.77 1wxt s GLN 11 N -4.01 1.82 -0.25 2.03 -2.07 -1.00 -0.91 119.66 115.28 1wxt s GLN 11 Ca 0.19 -1.21 -0.25 0.00 -1.82 0.00 0.00 55.36 52.27 1wxt s GLN 11 Cb 0.07 -2.11 -0.00 0.00 -1.09 0.00 0.00 33.01 29.88 1wxt s GLN 11 CO -0.01 0.47 0.87 0.08 -1.32 0.00 0.00 175.29 175.38 1wxt s VAL 12 N -1.27 4.79 -0.04 3.63 1.01 0.33 -1.58 120.40 127.26 1wxt s VAL 12 Ca 0.19 1.60 0.13 0.00 0.00 0.00 0.00 61.98 63.90 1wxt s VAL 12 Cb -0.10 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 31.93 1wxt s VAL 12 CO 0.11 -0.14 0.88 0.25 0.00 0.00 0.00 175.10 176.20 1wxt h LEU 13 N 9.32 0.00 -7.73 3.92 5.85 -1.60 0.19 115.31 125.25 1wxt h LEU 13 Ca -0.22 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.24 1wxt h LEU 13 Cb 1.09 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.83 1wxt h LEU 13 CO 0.90 0.87 -0.73 -0.31 -0.34 0.00 0.00 178.44 178.83 1wxt s TYR 14 N -2.72 0.10 0.14 1.25 2.02 -1.26 -4.82 117.35 112.06 1wxt s TYR 14 Ca -0.02 -0.00 -0.31 0.00 -0.37 0.00 0.00 57.07 56.36 1wxt s TYR 14 Cb 0.08 -0.10 -0.08 0.00 -0.40 0.00 0.00 41.96 41.46 1wxt s TYR 14 CO 0.82 -0.02 1.38 -2.00 -1.57 0.00 0.00 175.55 174.16 1wxt s GLU 15 N 0.14 4.33 -0.07 -0.62 2.12 -1.26 -4.50 118.70 118.84 1wxt s GLU 15 Ca -0.01 2.09 0.02 0.00 0.36 0.00 0.00 54.97 57.42 1wxt s GLU 15 Cb -0.02 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.15 1wxt s GLU 15 CO -0.00 -0.41 -0.10 0.12 -0.54 0.00 0.00 175.26 174.33 1wxt s PHE 16 N 0.88 1.34 -0.19 5.30 5.36 -0.53 -4.97 117.98 125.18 1wxt s PHE 16 Ca 0.63 -0.51 -0.18 0.00 -0.96 0.00 0.00 56.93 55.91 1wxt s PHE 16 Cb -0.37 -1.03 -0.03 0.00 -0.34 0.00 0.00 43.02 41.25 1wxt s PHE 16 CO 0.32 -0.30 0.49 -2.00 -1.46 0.00 0.00 175.22 172.27 1wxt s GLU 17 N 0.86 4.21 -0.46 10.12 -6.30 -1.26 -2.36 118.70 123.50 1wxt s GLU 17 Ca -0.11 0.38 -0.27 0.00 -2.50 0.00 0.00 54.97 52.46 1wxt s GLU 17 Cb -0.15 -3.54 0.03 0.00 0.00 0.00 0.00 34.13 30.47 1wxt s GLU 17 CO 0.01 -0.08 1.01 0.00 0.02 0.00 0.00 175.26 176.22 1wxt s ALA 18 N 1.43 3.22 -1.26 6.30 0.00 -1.26 -4.88 121.76 125.31 1wxt s ALA 18 Ca 0.23 -0.64 0.17 0.00 0.00 0.00 0.00 51.96 51.72 1wxt s ALA 18 Cb -0.15 -3.73 0.65 0.00 0.00 0.00 0.00 23.12 19.88 1wxt s ALA 18 CO 0.09 -2.10 1.54 2.89 0.00 0.00 0.00 175.76 178.18 1wxt n ARG 19 N 7.40 3.40 -4.27 0.00 0.00 -1.26 -4.84 116.66 117.10 1wxt n ARG 19 Ca 0.09 -2.58 -0.19 0.00 -0.00 0.00 0.00 57.85 55.17 1wxt n ARG 19 Cb 0.49 -1.81 -0.11 0.00 -0.00 0.00 0.00 32.46 31.02 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 -0.86 2.21 0.29 2.89 -0.87 -1.26 -5.05 114.94 112.29 1wxt s ASN 20 Ca 0.46 -0.83 0.08 0.00 -1.57 0.00 0.00 52.86 51.00 1wxt s ASN 20 Cb 0.29 -0.09 0.45 0.00 -0.02 0.00 0.00 41.25 41.88 1wxt s ASN 20 CO 0.23 -0.12 1.68 1.55 -2.57 0.00 0.00 177.10 177.88 1wxt h PRO 21 N 3.41 0.16 0.07 -0.60 0.13 -2.04 -3.12 132.00 130.01 1wxt h PRO 21 Ca -0.40 -0.08 -0.26 0.00 -0.87 0.00 0.00 66.00 64.38 1wxt h PRO 21 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1wxt h PRO 21 CO 0.51 0.60 -1.29 0.07 -0.23 0.00 0.00 178.00 177.66 1wxt h ARG 22 N 0.13 0.15 0.00 0.86 0.11 -1.96 -3.47 114.38 110.20 1wxt h ARG 22 Ca 0.01 -0.25 -0.38 0.00 0.10 0.00 0.00 59.98 59.45 1wxt h ARG 22 Cb 0.88 0.09 0.19 0.00 1.11 0.00 0.00 29.97 32.25 1wxt h ARG 22 CO 0.07 1.04 0.14 0.39 0.10 0.00 0.00 179.97 181.71 1wxt n GLU 23 N -3.40 -2.91 -3.86 0.08 4.71 -1.18 -3.98 120.64 110.10 1wxt n GLU 23 Ca -0.09 -1.71 -0.11 0.00 -0.01 0.00 0.00 57.16 55.24 1wxt n GLU 23 Cb 1.00 -1.55 -0.09 0.00 -1.01 0.00 0.00 31.44 29.79 1wxt n GLU 23 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1wxt s LEU 24 N 0.00 1.47 0.09 -4.62 2.96 -1.26 -4.54 118.68 112.78 1wxt s LEU 24 Ca 0.69 -0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 54.17 1wxt s LEU 24 Cb -0.06 0.79 -0.07 0.00 0.50 0.00 0.00 46.19 47.35 1wxt s LEU 24 CO 0.52 -0.43 0.58 -0.89 -1.32 0.00 0.00 176.35 174.81 1wxt s THR 25 N -1.73 4.75 -0.03 3.68 2.01 -1.26 -4.14 115.64 118.91 1wxt s THR 25 Ca -0.12 1.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.94 1wxt s THR 25 Cb -0.05 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1wxt s THR 25 CO 0.00 0.48 0.21 0.68 -0.69 0.00 0.00 174.62 175.30 1wxt s VAL 26 N -1.20 0.05 0.19 3.82 -7.23 -1.00 -4.98 120.40 110.06 1wxt s VAL 26 Ca 0.31 -0.42 0.10 0.00 -1.81 0.00 0.00 61.98 60.16 1wxt s VAL 26 Cb -0.19 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 1wxt s VAL 26 CO 0.19 -0.23 -0.14 0.68 -0.31 0.00 0.00 175.10 175.29 1wxt s VAL 27 N -0.88 2.92 0.62 1.32 -7.23 -1.26 -1.45 120.40 114.44 1wxt s VAL 27 Ca -0.10 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.10 1wxt s VAL 27 Cb -0.05 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1wxt s VAL 27 CO 0.02 -0.12 1.08 1.67 -0.31 0.00 0.00 175.10 177.44 1wxt n GLN 28 N 0.08 0.96 0.00 4.82 7.27 -1.26 -2.34 117.38 126.92 1wxt n GLN 28 Ca -0.11 0.38 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1wxt n GLN 28 Cb 0.56 -2.30 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 1.16 1.76 3.75 1.69 0.00 0.67 -4.93 105.19 109.28 1wxt n GLY 29 Ca 0.15 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.00 -0.04 1.61 2.56 -0.99 -4.61 118.70 120.24 1wxt s GLU 30 Ca 0.00 2.11 0.03 0.00 0.00 0.00 0.00 54.97 57.11 1wxt s GLU 30 Cb 0.00 -2.11 -0.03 0.00 2.00 0.00 0.00 34.13 33.99 1wxt s GLU 30 CO 0.00 -1.26 -0.11 0.15 -0.56 0.00 0.00 175.26 173.48 1wxt s LYS 31 N -3.07 2.56 0.26 4.30 3.01 -1.26 -0.51 119.74 125.02 1wxt s LYS 31 Ca 0.75 -0.68 0.01 0.00 -1.01 0.00 0.00 55.97 55.05 1wxt s LYS 31 Cb -0.38 -2.45 -0.05 0.00 -1.01 0.00 0.00 37.83 33.94 1wxt s LYS 31 CO 0.43 0.63 0.10 -0.51 0.51 0.00 0.00 175.35 176.50 1wxt s LEU 32 N -0.94 1.65 -0.26 3.17 1.43 -0.09 -4.98 118.68 118.66 1wxt s LEU 32 Ca 0.13 -1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 51.79 1wxt s LEU 32 Cb -0.11 0.01 -0.00 0.00 0.03 0.00 0.00 46.19 46.12 1wxt s LEU 32 CO 0.02 -0.73 0.03 -0.70 0.23 0.00 0.00 176.35 175.21 1wxt s GLU 33 N -4.03 3.26 0.43 1.70 2.12 -1.13 -1.52 118.70 119.53 1wxt s GLU 33 Ca 0.38 -0.73 -0.23 0.00 0.36 0.00 0.00 54.97 54.75 1wxt s GLU 33 Cb 0.08 -3.23 -0.08 0.00 0.26 0.00 0.00 34.13 31.16 1wxt s GLU 33 CO 0.14 -0.32 1.08 0.08 -0.54 0.00 0.00 175.26 175.70 1wxt s VAL 34 N 1.50 3.55 0.15 3.70 1.01 0.16 -1.29 120.40 129.18 1wxt s VAL 34 Ca 0.04 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1wxt s VAL 34 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1wxt s VAL 34 CO 0.00 -0.03 0.00 0.18 0.00 0.00 0.00 175.10 175.26 1wxt n LEU 35 N -0.30 0.56 -4.30 3.92 4.77 0.20 -4.31 117.00 117.54 1wxt n LEU 35 Ca 0.06 0.23 -0.46 0.00 -0.03 0.00 0.00 56.01 55.82 1wxt n LEU 35 Cb 0.49 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1wxt n LEU 35 CO 0.45 -0.73 0.37 -0.62 -1.33 0.00 0.00 177.39 175.52 1wxt s ASP 36 N -5.50 6.55 -0.61 -1.43 -1.08 -1.16 -4.89 116.67 108.56 1wxt s ASP 36 Ca 0.00 -2.67 -0.00 0.00 -0.52 0.00 0.00 52.55 49.35 1wxt s ASP 36 Cb 0.00 -2.17 0.44 0.00 -1.46 0.00 0.00 42.92 39.74 1wxt s ASP 36 CO 0.00 -0.56 1.86 0.00 0.52 0.00 0.00 175.17 176.99 1wxt n HIS 37 N 3.97 3.13 -0.10 -5.34 1.44 -1.26 -2.29 115.22 114.77 1wxt n HIS 37 Ca 0.12 -2.84 -0.19 0.00 -2.01 0.00 0.00 57.72 52.80 1wxt n HIS 37 Cb 0.46 -1.21 -0.06 0.00 0.12 0.00 0.00 29.99 29.30 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 -0.85 1.61 -4.83 4.39 7.64 -1.26 -5.01 113.62 115.32 1wxt n SER 38 Ca 0.58 0.28 -0.32 0.00 1.01 0.00 0.00 58.87 60.42 1wxt n SER 38 Cb 0.69 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1wxt n SER 38 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1wxt s LYS 39 N -2.50 3.50 0.25 1.43 2.20 -1.26 -4.90 119.74 118.46 1wxt s LYS 39 Ca -0.28 1.04 0.05 0.00 -0.36 0.00 0.00 55.97 56.41 1wxt s LYS 39 Cb 0.09 -2.07 0.69 0.00 -1.51 0.00 0.00 37.83 35.03 1wxt s LYS 39 CO 0.37 -0.65 1.21 0.54 -0.36 0.00 0.00 175.35 176.46 1wxt n ARG 40 N -2.11 -0.06 -3.30 4.03 5.12 -1.26 -4.16 116.66 114.92 1wxt n ARG 40 Ca 0.08 1.13 -0.37 0.00 -1.93 0.00 0.00 57.85 56.76 1wxt n ARG 40 Cb 0.53 -1.85 -0.06 0.00 -1.16 0.00 0.00 32.46 29.92 1wxt n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1wxt s TRP 41 N -5.58 3.71 -0.19 -1.55 0.52 -1.26 -4.42 118.94 110.17 1wxt s TRP 41 Ca -0.09 1.19 -0.07 0.00 0.02 0.00 0.00 56.10 57.14 1wxt s TRP 41 Cb 0.23 -2.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 1wxt s TRP 41 CO 0.60 0.51 0.06 -1.58 0.02 0.00 0.00 176.95 176.55 1wxt s TRP 42 N -1.29 3.20 -0.24 -1.98 0.52 -0.54 -4.64 118.94 113.97 1wxt s TRP 42 Ca 0.33 -0.03 -0.19 0.00 0.02 0.00 0.00 56.10 56.23 1wxt s TRP 42 Cb -0.17 -2.10 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 1wxt s TRP 42 CO 0.19 0.05 0.55 -1.17 0.02 0.00 0.00 176.95 176.59 1wxt s LEU 43 N 0.60 4.08 0.44 2.99 2.96 -0.97 -0.68 118.68 128.10 1wxt s LEU 43 Ca 0.03 0.61 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 1wxt s LEU 43 Cb -0.13 -2.73 -0.05 0.00 0.50 0.00 0.00 46.19 43.78 1wxt s LEU 43 CO 0.01 -0.28 0.06 0.68 -1.32 0.00 0.00 176.35 175.51 1wxt s VAL 44 N 2.19 1.87 0.11 1.68 -7.23 -0.67 0.59 120.40 118.93 1wxt s VAL 44 Ca 0.23 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1wxt s VAL 44 Cb -0.16 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 1wxt s VAL 44 CO 0.09 0.00 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.05 1wxt s LYS 45 N -3.82 0.87 0.54 4.82 2.20 -0.41 -1.33 119.74 122.61 1wxt s LYS 45 Ca 0.30 -1.32 0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1wxt s LYS 45 Cb 0.06 -0.32 0.03 0.00 -1.51 0.00 0.00 37.83 36.09 1wxt s LYS 45 CO 0.16 0.01 0.26 0.54 -0.36 0.00 0.00 175.35 175.96 1wxt s ASN 46 N -2.97 4.44 0.36 1.43 2.20 -0.90 -2.83 114.94 116.69 1wxt s ASN 46 Ca 0.11 -1.43 0.06 0.00 -0.94 0.00 0.00 52.86 50.66 1wxt s ASN 46 Cb 0.04 0.54 0.70 0.00 -2.00 0.00 0.00 41.25 40.53 1wxt s ASN 46 CO -0.03 -1.05 1.93 1.05 -2.94 0.00 0.00 177.10 176.06 1wxt h GLU 47 N 0.94 0.49 -0.16 3.55 4.11 -1.93 -2.13 114.58 119.44 1wxt h GLU 47 Ca -0.39 -0.08 -0.07 0.00 0.07 0.00 0.00 59.36 58.89 1wxt h GLU 47 Cb 1.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1wxt h GLU 47 CO 0.63 0.47 -0.21 0.00 0.07 0.00 0.00 179.01 179.97 1wxt h ALA 48 N 1.59 1.36 0.00 1.06 0.00 -2.04 -3.46 119.26 117.76 1wxt h ALA 48 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wxt h ALA 48 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wxt h ALA 48 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1wxt n GLY 49 N -0.64 2.07 3.69 0.00 0.00 -0.80 -5.09 105.19 104.43 1wxt n GLY 49 Ca -0.01 0.00 -0.42 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 -0.02 4.30 -0.07 1.61 0.52 -1.26 -4.67 118.95 119.36 1wxt s ARG 50 Ca 0.00 1.95 0.04 0.00 -0.52 0.00 0.00 55.73 57.20 1wxt s ARG 50 Cb 0.00 -3.52 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1wxt s ARG 50 CO 0.00 -0.53 -0.22 -1.54 0.02 0.00 0.00 175.30 173.04 1wxt s SER 51 N 1.70 3.35 0.12 0.23 1.04 -1.26 -2.11 113.70 116.78 1wxt s SER 51 Ca 0.63 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.63 1wxt s SER 51 Cb -0.31 -1.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.71 1wxt s SER 51 CO 0.27 0.23 -0.06 -0.83 0.98 0.00 0.00 173.24 173.83 1wxt s GLY 52 N -0.07 0.92 -0.35 7.32 0.00 -0.44 -4.75 107.32 109.94 1wxt s GLY 52 Ca -0.05 -1.42 -0.25 0.00 0.00 0.00 0.00 44.72 43.00 1wxt s GLY 52 CO 0.04 -1.50 0.85 -0.19 0.00 0.00 0.00 173.10 172.30 1wxt s TYR 53 N -3.56 3.13 0.14 1.90 2.02 -1.26 -1.67 117.35 118.05 1wxt s TYR 53 Ca 0.15 0.74 0.09 0.00 -0.37 0.00 0.00 57.07 57.68 1wxt s TYR 53 Cb 0.05 -3.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.11 1wxt s TYR 53 CO -0.02 -0.72 -0.17 0.96 -1.57 0.00 0.00 175.55 174.03 1wxt s ILE 54 N 3.22 2.86 -0.18 2.71 -4.36 0.15 -4.51 121.20 121.10 1wxt s ILE 54 Ca 0.35 -1.60 -0.29 0.00 -0.26 0.00 0.00 60.65 58.84 1wxt s ILE 54 Cb -0.13 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.20 1wxt s ILE 54 CO 0.16 0.03 1.58 -2.16 0.24 0.00 0.00 174.94 174.79 1wxt s PRO 55 N -2.36 3.92 0.64 0.37 0.04 -1.26 -1.47 135.00 134.87 1wxt s PRO 55 Ca 0.20 1.77 0.19 0.00 0.04 0.00 0.00 61.00 63.20 1wxt s PRO 55 Cb -0.10 -3.99 0.93 0.00 0.04 0.00 0.00 34.50 31.38 1wxt s PRO 55 CO 0.11 -1.14 1.49 0.66 0.04 0.00 0.00 177.00 178.17 1wxt h SER 56 N 10.20 0.00 -0.97 6.66 4.64 -1.89 0.29 113.55 132.47 1wxt h SER 56 Ca -0.34 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.09 1wxt h SER 56 Cb 1.15 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.17 1wxt h SER 56 CO 0.99 0.00 0.62 0.78 -0.87 0.00 0.00 176.83 178.35 1wxt h ASN 57 N 0.00 0.89 -0.56 4.97 2.35 -1.93 0.76 115.58 122.07 1wxt h ASN 57 Ca 0.14 0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 55.69 1wxt h ASN 57 Cb 1.65 -0.15 -0.14 0.00 0.05 0.00 0.00 38.32 39.74 1wxt h ASN 57 CO -0.00 0.50 0.29 2.30 -1.65 0.00 0.00 177.43 178.87 1wxt n ILE 58 N -4.57 2.22 -4.64 2.81 -5.35 0.10 -4.84 119.36 105.09 1wxt n ILE 58 Ca 0.17 -1.13 -0.28 0.00 -0.27 0.00 0.00 62.75 61.24 1wxt n ILE 58 Cb 0.33 -0.57 -0.17 0.00 -1.74 0.00 0.00 39.64 37.49 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 -2.01 1.78 0.20 7.28 1.43 0.26 -1.50 118.68 126.12 1wxt s LEU 59 Ca 0.36 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1wxt s LEU 59 Cb 0.30 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1wxt s LEU 59 CO 0.08 0.05 -0.20 -1.61 0.23 0.00 0.00 176.35 174.89 1wxt s GLU 60 N 0.78 1.46 -1.04 1.70 0.41 -0.61 -4.93 118.70 116.46 1wxt s GLU 60 Ca -0.11 -1.55 -0.24 0.00 -0.41 0.00 0.00 54.97 52.67 1wxt s GLU 60 Cb -0.16 -1.59 -0.07 0.00 -1.78 0.00 0.00 34.13 30.53 1wxt s GLU 60 CO 0.02 0.32 1.94 -1.25 -0.49 0.00 0.00 175.26 175.80 1wxt s PRO 61 N -2.98 2.52 -0.00 0.39 0.04 -1.26 -2.37 135.00 131.34 1wxt s PRO 61 Ca 0.21 -0.71 -0.25 0.00 0.04 0.00 0.00 61.00 60.30 1wxt s PRO 61 Cb -0.06 -5.15 -0.18 0.00 0.04 0.00 0.00 34.50 29.15 1wxt s PRO 61 CO 0.10 -3.67 1.26 1.25 0.04 0.00 0.00 177.00 175.97 1wxt h LEU 62 N 17.83 -0.14 -9.20 -3.56 5.85 -1.90 -3.42 115.31 120.77 1wxt h LEU 62 Ca 0.15 -0.32 -0.58 0.00 0.84 0.00 0.00 57.88 57.97 1wxt h LEU 62 Cb 0.97 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 1wxt h LEU 62 CO 1.22 0.27 0.16 -0.44 -0.34 0.00 0.00 178.44 179.31 1wxt s SER 63 N -5.41 6.82 0.19 1.25 0.01 -1.25 -5.04 113.70 110.27 1wxt s SER 63 Ca -0.15 1.00 0.07 0.00 1.31 0.00 0.00 55.95 58.18 1wxt s SER 63 Cb 0.02 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 1wxt s SER 63 CO 0.61 -0.25 -0.14 -0.83 0.41 0.00 0.00 173.24 173.04 1wxt s GLY 64 N 1.06 1.36 0.16 3.44 0.00 -1.26 -5.01 107.32 107.07 1wxt s GLY 64 Ca 0.33 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.14 1wxt s GLY 64 CO 0.13 -1.70 1.33 2.56 0.00 0.00 0.00 173.10 175.42 1wxt s PRO 65 N -3.52 4.37 -0.70 2.90 0.04 -1.26 -4.99 135.00 131.84 1wxt s PRO 65 Ca 0.20 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 1wxt s PRO 65 Cb -0.01 -3.22 0.18 0.00 0.04 0.00 0.00 34.50 31.49 1wxt s PRO 65 CO 0.06 -0.31 0.61 -1.12 0.04 0.00 0.00 177.00 176.27 1wxt s SER 66 N 0.64 6.21 -0.48 6.66 0.01 -1.26 -5.03 113.70 120.46 1wxt s SER 66 Ca 0.59 -2.51 -0.45 0.00 1.31 0.00 0.00 55.95 54.89 1wxt s SER 66 Cb -0.36 -2.10 -0.19 0.00 0.21 0.00 0.00 66.02 63.58 1wxt s SER 66 CO 0.35 -0.58 1.84 -0.24 0.41 0.00 0.00 173.24 175.02 1wxt n SER 67 N 4.15 1.15 0.00 2.44 2.88 -1.26 -5.38 113.62 117.60 1wxt n SER 67 Ca 0.06 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1wxt n SER 67 Cb 0.43 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1wxt n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42