#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 0.74 0.15 1.61 0.01 -1.26 -5.16 113.70 109.80 1wxt s SER 2 Ca 0.00 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 1wxt s SER 2 Cb 0.00 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1wxt s SER 2 CO 0.00 -0.23 0.33 -0.44 0.41 0.00 0.00 173.24 173.31 1wxt s SER 3 N -1.59 6.39 0.27 2.44 0.01 -1.26 -5.00 113.70 114.96 1wxt s SER 3 Ca -0.11 0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.48 1wxt s SER 3 Cb -0.10 -1.99 0.56 0.00 0.21 0.00 0.00 66.02 64.70 1wxt s SER 3 CO 0.00 0.03 1.63 1.23 0.41 0.00 0.00 173.24 176.55 1wxt h GLY 4 N 2.37 1.05 -2.12 3.44 0.00 -2.02 -3.42 103.07 102.37 1wxt h GLY 4 Ca -0.47 0.07 -0.54 0.00 0.00 0.00 0.00 47.33 46.39 1wxt h GLY 4 CO 0.70 -0.33 -0.68 -0.56 0.00 0.00 0.00 176.54 175.67 1wxt s SER 5 N -5.14 3.09 0.08 0.19 0.01 -1.26 -5.09 113.70 105.58 1wxt s SER 5 Ca -0.13 -1.20 -0.36 0.00 1.31 0.00 0.00 55.95 55.57 1wxt s SER 5 Cb 0.24 -0.23 -0.18 0.00 0.21 0.00 0.00 66.02 66.06 1wxt s SER 5 CO 0.76 -0.30 1.08 -0.24 0.41 0.00 0.00 173.24 174.95 1wxt n SER 6 N -0.66 0.46 -4.22 2.44 2.88 -1.26 -4.85 113.62 108.41 1wxt n SER 6 Ca -0.05 1.14 -0.34 0.00 -1.33 0.00 0.00 58.87 58.29 1wxt n SER 6 Cb 0.63 -1.04 0.10 0.00 -0.75 0.00 0.00 64.21 63.15 1wxt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxt n GLY 7 N 1.89 -2.92 3.14 0.46 0.00 -1.26 -5.01 105.19 101.48 1wxt n GLY 7 Ca 0.18 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 2.36 2.12 -0.04 0.99 2.96 -1.22 -5.03 118.68 120.82 1wxt s LEU 8 Ca 0.50 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 1wxt s LEU 8 Cb -0.13 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 1wxt s LEU 8 CO 0.71 0.10 -0.20 -0.54 -1.32 0.00 0.00 176.35 175.10 1wxt s LYS 9 N -0.84 2.38 0.18 1.98 -0.14 -1.26 0.19 119.74 122.23 1wxt s LYS 9 Ca 0.04 -0.80 -0.12 0.00 -1.36 0.00 0.00 55.97 53.73 1wxt s LYS 9 Cb -0.07 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.84 1wxt s LYS 9 CO 0.01 0.57 0.36 -1.64 -0.76 0.00 0.00 175.35 173.88 1wxt s MET 10 N -0.61 1.24 0.18 1.68 -1.94 -1.02 -4.32 119.30 114.52 1wxt s MET 10 Ca 0.09 -1.09 0.10 0.00 -1.71 0.00 0.00 55.69 53.08 1wxt s MET 10 Cb -0.11 0.42 -0.04 0.00 2.01 0.00 0.00 34.83 37.11 1wxt s MET 10 CO 0.00 -0.48 -0.21 1.14 -0.01 0.00 0.00 175.02 175.46 1wxt s GLN 11 N -3.94 1.42 0.18 2.03 -2.07 -1.20 -1.90 119.66 114.18 1wxt s GLN 11 Ca 0.15 -1.48 -0.25 0.00 -1.82 0.00 0.00 55.36 51.96 1wxt s GLN 11 Cb 0.02 -1.63 -0.08 0.00 -1.09 0.00 0.00 33.01 30.23 1wxt s GLN 11 CO -0.00 0.34 0.79 0.08 -1.32 0.00 0.00 175.29 175.17 1wxt s VAL 12 N -1.84 4.36 -0.14 3.63 1.01 -0.33 -2.05 120.40 125.04 1wxt s VAL 12 Ca 0.19 1.69 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 1wxt s VAL 12 Cb -0.07 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1wxt s VAL 12 CO 0.09 0.48 -0.14 -0.11 0.00 0.00 0.00 175.10 175.42 1wxt n LEU 13 N 1.47 2.62 -3.95 3.92 7.94 -0.91 -1.52 117.00 126.58 1wxt n LEU 13 Ca -0.05 -0.03 -0.30 0.00 -1.11 0.00 0.00 56.01 54.53 1wxt n LEU 13 Cb 0.49 -0.48 -0.16 0.00 0.53 0.00 0.00 43.42 43.80 1wxt n LEU 13 CO 0.46 0.66 -0.44 -0.31 -1.11 0.00 0.00 177.39 176.65 1wxt s TYR 14 N -2.28 2.24 0.19 1.96 2.02 -1.26 -4.77 117.35 115.45 1wxt s TYR 14 Ca -0.19 -1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 54.66 1wxt s TYR 14 Cb 0.05 -1.54 -0.17 0.00 -0.40 0.00 0.00 41.96 39.91 1wxt s TYR 14 CO 0.31 -0.73 0.79 -1.91 -1.57 0.00 0.00 175.55 172.44 1wxt n GLU 15 N 4.72 0.44 -4.19 -0.62 2.13 -1.26 -4.79 120.64 117.07 1wxt n GLU 15 Ca -0.13 0.15 -0.21 0.00 0.66 0.00 0.00 57.16 57.63 1wxt n GLU 15 Cb 0.46 -1.37 -0.16 0.00 0.27 0.00 0.00 31.44 30.63 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 -0.76 0.90 -0.58 4.31 5.36 0.55 -4.96 117.98 122.80 1wxt s PHE 16 Ca 0.68 -0.28 -0.18 0.00 -0.96 0.00 0.00 56.93 56.18 1wxt s PHE 16 Cb -0.92 -0.77 0.11 0.00 -0.34 0.00 0.00 43.02 41.10 1wxt s PHE 16 CO 0.56 -0.23 0.65 -2.00 -1.46 0.00 0.00 175.22 172.74 1wxt s GLU 17 N 0.99 3.03 -0.19 10.12 2.12 -1.26 -2.20 118.70 131.31 1wxt s GLU 17 Ca -0.10 -1.42 -0.39 0.00 0.36 0.00 0.00 54.97 53.43 1wxt s GLU 17 Cb -0.14 -4.28 -0.15 0.00 0.26 0.00 0.00 34.13 29.82 1wxt s GLU 17 CO -0.00 -1.49 1.71 0.00 -0.54 0.00 0.00 175.26 174.95 1wxt n ALA 18 N 6.05 -0.06 -1.42 6.30 0.00 -1.26 -4.85 120.51 125.27 1wxt n ALA 18 Ca -0.11 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.65 1wxt n ALA 18 Cb 0.42 -2.26 0.20 0.00 0.00 0.00 0.00 19.45 17.81 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 5.18 1.93 -3.86 0.00 1.85 -1.26 -4.88 116.66 115.62 1wxt n ARG 19 Ca 0.25 -3.16 -0.11 0.00 -1.00 0.00 0.00 57.85 53.83 1wxt n ARG 19 Cb 0.17 -1.88 -0.09 0.00 -1.05 0.00 0.00 32.46 29.61 1wxt n ARG 19 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1wxt s ASN 20 N -2.33 0.03 0.52 2.89 -0.87 -1.26 -5.04 114.94 108.87 1wxt s ASN 20 Ca 0.47 -0.30 0.30 0.00 -1.57 0.00 0.00 52.86 51.76 1wxt s ASN 20 Cb 0.42 0.26 1.27 0.00 -0.02 0.00 0.00 41.25 43.18 1wxt s ASN 20 CO 0.02 -0.49 1.96 1.55 -2.57 0.00 0.00 177.10 177.56 1wxt h PRO 21 N 3.74 0.00 -0.02 -0.60 0.13 -2.04 -2.51 132.00 130.70 1wxt h PRO 21 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.46 0.08 -0.20 2.89 -0.23 0.00 0.00 178.00 181.00 1wxt n ARG 22 N -3.24 1.76 -2.89 0.86 1.85 -1.26 -4.95 116.66 108.80 1wxt n ARG 22 Ca 0.00 -1.41 -0.19 0.00 -1.00 0.00 0.00 57.85 55.24 1wxt n ARG 22 Cb 0.33 -1.47 0.04 0.00 -1.05 0.00 0.00 32.46 30.31 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 -2.21 2.46 -0.00 2.89 2.02 -0.95 -3.08 118.70 119.82 1wxt s GLU 23 Ca 0.25 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.99 1wxt s GLU 23 Cb 0.19 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.82 1wxt s GLU 23 CO 0.42 -0.69 0.01 -1.17 0.02 0.00 0.00 175.26 173.84 1wxt s LEU 24 N -4.63 1.78 0.61 1.80 2.96 -1.26 -4.64 118.68 115.29 1wxt s LEU 24 Ca 0.59 0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 54.33 1wxt s LEU 24 Cb -0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.56 1wxt s LEU 24 CO 0.37 -0.03 1.13 -0.89 -1.32 0.00 0.00 176.35 175.62 1wxt s THR 25 N 0.25 3.11 -0.23 3.68 2.01 -1.26 -4.43 115.64 118.76 1wxt s THR 25 Ca -0.02 0.60 -0.12 0.00 0.31 0.00 0.00 61.69 62.46 1wxt s THR 25 Cb -0.03 -3.17 0.07 0.00 0.01 0.00 0.00 72.50 69.39 1wxt s THR 25 CO -0.01 -0.23 0.56 0.68 -0.69 0.00 0.00 174.62 174.93 1wxt s VAL 26 N -2.01 -0.09 0.29 3.82 -7.23 -0.93 -4.96 120.40 109.28 1wxt s VAL 26 Ca 0.71 0.05 0.06 0.00 -1.81 0.00 0.00 61.98 60.99 1wxt s VAL 26 Cb -0.23 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.87 1wxt s VAL 26 CO 0.35 0.02 0.36 0.68 -0.31 0.00 0.00 175.10 176.20 1wxt s VAL 27 N 1.65 4.44 0.48 1.32 -7.23 -1.26 -0.33 120.40 119.47 1wxt s VAL 27 Ca -0.09 -1.12 -0.24 0.00 -1.81 0.00 0.00 61.98 58.72 1wxt s VAL 27 Cb -0.07 -3.52 -0.07 0.00 0.56 0.00 0.00 36.38 33.28 1wxt s VAL 27 CO -0.17 -0.25 1.32 -1.58 -0.31 0.00 0.00 175.10 174.12 1wxt s GLN 28 N -4.03 3.56 0.00 4.82 0.74 -1.26 -2.59 119.66 120.90 1wxt s GLN 28 Ca 0.39 2.17 0.00 0.00 0.05 0.00 0.00 55.36 57.96 1wxt s GLN 28 Cb -0.08 -2.48 0.00 0.00 1.10 0.00 0.00 33.01 31.54 1wxt s GLN 28 CO 0.29 -0.83 0.00 0.41 -0.55 0.00 0.00 175.29 174.60 1wxt n GLY 29 N 0.63 2.24 3.63 2.59 0.00 -0.58 -4.96 105.19 108.74 1wxt n GLY 29 Ca 0.07 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 0.53 -4.27 1.61 4.07 -1.07 -4.58 120.64 116.93 1wxt n GLU 30 Ca 0.00 0.24 -0.30 0.00 -0.06 0.00 0.00 57.16 57.04 1wxt n GLU 30 Cb 0.00 -2.27 -0.10 0.00 -0.06 0.00 0.00 31.44 29.02 1wxt n GLU 30 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1wxt s LYS 31 N -3.40 2.29 -0.12 5.31 1.02 -1.26 -1.18 119.74 122.39 1wxt s LYS 31 Ca 0.74 -0.93 -0.14 0.00 0.02 0.00 0.00 55.97 55.67 1wxt s LYS 31 Cb -0.34 -2.38 0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1wxt s LYS 31 CO 0.49 0.53 0.38 -0.51 -0.92 0.00 0.00 175.35 175.32 1wxt s LEU 32 N -2.04 0.57 -0.27 3.17 1.43 -0.80 -4.94 118.68 115.80 1wxt s LEU 32 Ca 0.21 0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 53.75 1wxt s LEU 32 Cb -0.11 1.32 -0.00 0.00 0.03 0.00 0.00 46.19 47.42 1wxt s LEU 32 CO 0.13 -0.18 0.82 -0.70 0.23 0.00 0.00 176.35 176.65 1wxt s GLU 33 N -0.02 4.10 0.34 1.70 2.12 -1.19 -2.43 118.70 123.33 1wxt s GLU 33 Ca -0.02 0.81 -0.27 0.00 0.36 0.00 0.00 54.97 55.85 1wxt s GLU 33 Cb -0.03 -3.68 -0.09 0.00 0.26 0.00 0.00 34.13 30.59 1wxt s GLU 33 CO 0.01 -0.58 1.12 0.08 -0.54 0.00 0.00 175.26 175.34 1wxt s VAL 34 N 2.90 3.42 0.08 3.70 1.01 0.13 -2.07 120.40 129.57 1wxt s VAL 34 Ca 0.34 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1wxt s VAL 34 Cb -0.15 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1wxt s VAL 34 CO 0.09 0.21 0.00 0.18 0.00 0.00 0.00 175.10 175.58 1wxt n LEU 35 N 0.63 0.88 -4.14 3.92 4.77 0.12 -3.42 117.00 119.76 1wxt n LEU 35 Ca 0.02 0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.74 1wxt n LEU 35 Cb 0.46 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.17 1wxt n LEU 35 CO 0.51 -0.60 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.17 1wxt s ASP 36 N -5.78 5.25 -0.27 -1.43 2.15 -1.18 -4.92 116.67 110.48 1wxt s ASP 36 Ca 0.00 -1.89 0.12 0.00 0.43 0.00 0.00 52.55 51.21 1wxt s ASP 36 Cb 0.00 -1.83 0.67 0.00 -0.30 0.00 0.00 42.92 41.46 1wxt s ASP 36 CO 0.00 -0.51 1.65 0.00 -0.17 0.00 0.00 175.17 176.14 1wxt n HIS 37 N 4.63 1.81 -0.05 -5.34 1.44 -1.26 -2.00 115.22 114.45 1wxt n HIS 37 Ca -0.04 -1.10 -0.02 0.00 -2.01 0.00 0.00 57.72 54.55 1wxt n HIS 37 Cb 0.42 -0.54 -0.01 0.00 0.12 0.00 0.00 29.99 29.98 1wxt n HIS 37 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wxt h SER 38 N 2.41 0.00 -4.16 4.39 0.87 -1.91 -3.48 113.55 111.67 1wxt h SER 38 Ca 0.15 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.19 1wxt h SER 38 Cb 1.96 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 64.03 1wxt h SER 38 CO 0.52 0.49 0.40 -0.54 -0.53 0.00 0.00 176.83 177.17 1wxt s LYS 39 N -1.76 2.79 0.14 2.24 1.02 -1.26 -4.91 119.74 118.00 1wxt s LYS 39 Ca -0.08 1.56 -0.25 0.00 0.02 0.00 0.00 55.97 57.22 1wxt s LYS 39 Cb 0.01 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1wxt s LYS 39 CO 0.12 -1.29 1.31 -2.13 -0.92 0.00 0.00 175.35 172.44 1wxt n ARG 40 N -2.16 -0.35 -2.71 1.68 3.00 -1.26 -3.93 116.66 110.93 1wxt n ARG 40 Ca 0.12 1.28 -0.43 0.00 -0.00 0.00 0.00 57.85 58.82 1wxt n ARG 40 Cb 0.51 -1.89 -0.03 0.00 0.00 0.00 0.00 32.46 31.06 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 -5.47 3.25 0.25 -0.14 0.52 -1.26 -4.07 118.94 112.02 1wxt s TRP 41 Ca -0.10 1.27 -0.27 0.00 0.02 0.00 0.00 56.10 57.01 1wxt s TRP 41 Cb 0.10 -3.39 -0.09 0.00 -1.15 0.00 0.00 33.47 28.95 1wxt s TRP 41 CO 0.54 -0.58 0.90 -1.58 0.02 0.00 0.00 176.95 176.24 1wxt s TRP 42 N 3.29 3.87 -0.27 -1.98 0.52 0.89 -4.69 118.94 120.57 1wxt s TRP 42 Ca 0.42 1.79 -0.13 0.00 0.02 0.00 0.00 56.10 58.21 1wxt s TRP 42 Cb -0.14 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.24 1wxt s TRP 42 CO 0.10 0.40 0.27 -1.17 0.02 0.00 0.00 176.95 176.57 1wxt s LEU 43 N -1.46 4.03 0.31 2.99 2.96 -0.85 -0.27 118.68 126.40 1wxt s LEU 43 Ca 0.43 0.12 0.10 0.00 -0.22 0.00 0.00 54.13 54.56 1wxt s LEU 43 Cb -0.23 -2.26 -0.06 0.00 0.50 0.00 0.00 46.19 44.15 1wxt s LEU 43 CO 0.28 -0.11 -0.14 0.68 -1.32 0.00 0.00 176.35 175.74 1wxt s VAL 44 N 1.89 2.31 0.14 1.68 -7.23 -0.97 0.14 120.40 118.36 1wxt s VAL 44 Ca 0.11 -2.29 0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1wxt s VAL 44 Cb -0.16 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1wxt s VAL 44 CO 0.10 -0.29 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.65 1wxt s LYS 45 N -3.57 1.23 0.32 4.82 2.20 -0.88 -1.71 119.74 122.15 1wxt s LYS 45 Ca 0.31 -1.30 0.04 0.00 -0.36 0.00 0.00 55.97 54.65 1wxt s LYS 45 Cb -0.01 -1.42 0.04 0.00 -1.51 0.00 0.00 37.83 34.93 1wxt s LYS 45 CO 0.16 0.31 0.30 0.27 -0.36 0.00 0.00 175.35 176.02 1wxt n ASN 46 N 0.67 1.81 0.07 1.43 0.23 -0.96 -3.15 115.26 115.35 1wxt n ASN 46 Ca -0.16 -2.04 -0.04 0.00 -0.53 0.00 0.00 54.58 51.81 1wxt n ASN 46 Cb 0.55 -0.08 0.17 0.00 -2.08 0.00 0.00 39.78 38.34 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 0.32 0.00 -3.83 5.08 -1.92 -2.82 114.58 111.41 1wxt h GLU 47 Ca -0.19 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1wxt h GLU 47 Cb 0.73 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1wxt h GLU 47 CO 0.29 0.72 -0.14 0.00 -1.00 0.00 0.00 179.01 178.88 1wxt h ALA 48 N 1.26 1.51 0.00 3.43 0.00 -2.04 -3.46 119.26 119.97 1wxt h ALA 48 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wxt h ALA 48 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wxt h ALA 48 CO 0.08 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1wxt n GLY 49 N -0.92 0.80 3.70 0.00 0.00 -1.06 -5.08 105.19 102.63 1wxt n GLY 49 Ca -0.02 0.00 -0.41 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 -0.46 4.46 -0.11 1.61 0.52 -1.26 -4.79 118.95 118.92 1wxt s ARG 50 Ca 0.00 1.18 0.01 0.00 -0.52 0.00 0.00 55.73 56.40 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 -0.10 -0.15 -1.54 0.02 0.00 0.00 175.30 173.53 1wxt s SER 51 N 0.98 3.85 0.14 0.23 1.04 -1.26 -2.28 113.70 116.40 1wxt s SER 51 Ca 0.45 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.56 1wxt s SER 51 Cb -0.19 -1.42 -0.04 0.00 0.10 0.00 0.00 66.02 64.47 1wxt s SER 51 CO 0.21 0.20 -0.04 -0.83 0.98 0.00 0.00 173.24 173.76 1wxt s GLY 52 N 0.14 1.00 0.07 7.32 0.00 -0.69 -4.80 107.32 110.36 1wxt s GLY 52 Ca -0.08 -1.47 -0.28 0.00 0.00 0.00 0.00 44.72 42.89 1wxt s GLY 52 CO 0.05 -1.51 0.89 -0.19 0.00 0.00 0.00 173.10 172.35 1wxt s TYR 53 N -3.59 3.76 0.02 1.90 2.02 -1.18 -2.30 117.35 117.98 1wxt s TYR 53 Ca 0.18 1.66 0.00 0.00 -0.37 0.00 0.00 57.07 58.54 1wxt s TYR 53 Cb 0.05 -2.98 -0.02 0.00 -0.40 0.00 0.00 41.96 38.61 1wxt s TYR 53 CO -0.00 0.20 -0.04 0.96 -1.57 0.00 0.00 175.55 175.10 1wxt s ILE 54 N 0.13 0.19 -0.13 2.71 -4.36 0.63 -4.23 121.20 116.14 1wxt s ILE 54 Ca 0.44 -0.93 -0.29 0.00 -0.26 0.00 0.00 60.65 59.61 1wxt s ILE 54 Cb -0.22 -0.32 -0.04 0.00 1.25 0.00 0.00 42.46 43.13 1wxt s ILE 54 CO 0.27 -0.47 1.54 -2.16 0.24 0.00 0.00 174.94 174.36 1wxt s PRO 55 N -1.46 4.09 0.50 0.37 0.04 -1.26 -0.08 135.00 137.21 1wxt s PRO 55 Ca -0.15 1.92 0.19 0.00 0.04 0.00 0.00 61.00 63.00 1wxt s PRO 55 Cb -0.10 -3.94 1.05 0.00 0.04 0.00 0.00 34.50 31.55 1wxt s PRO 55 CO -0.01 -0.93 1.54 0.66 0.04 0.00 0.00 177.00 178.31 1wxt h SER 56 N 9.50 0.00 -0.15 6.66 4.64 -1.90 0.14 113.55 132.44 1wxt h SER 56 Ca -0.34 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1wxt h SER 56 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1wxt h SER 56 CO 0.97 0.00 0.10 0.78 -0.87 0.00 0.00 176.83 177.81 1wxt h ASN 57 N 0.00 0.11 -0.62 4.97 2.35 -1.91 -0.18 115.58 120.30 1wxt h ASN 57 Ca 0.00 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1wxt h ASN 57 Cb 0.76 -0.03 -0.09 0.00 0.05 0.00 0.00 38.32 39.01 1wxt h ASN 57 CO 0.00 0.08 0.20 2.30 -1.65 0.00 0.00 177.43 178.36 1wxt n ILE 58 N -4.51 2.56 -3.97 2.81 -5.35 0.47 -4.84 119.36 106.53 1wxt n ILE 58 Ca -0.00 -1.36 -0.29 0.00 -0.27 0.00 0.00 62.75 60.84 1wxt n ILE 58 Cb 0.14 -0.40 -0.17 0.00 -1.74 0.00 0.00 39.64 37.48 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 -2.52 1.50 0.28 7.28 1.43 -0.08 -2.13 118.68 124.44 1wxt s LEU 59 Ca 0.47 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1wxt s LEU 59 Cb 0.38 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 1wxt s LEU 59 CO 0.12 -0.09 0.10 -1.61 0.23 0.00 0.00 176.35 175.10 1wxt s GLU 60 N 1.58 2.52 -0.95 1.70 8.01 -0.87 -4.97 118.70 125.72 1wxt s GLU 60 Ca 0.05 -1.33 -0.24 0.00 0.01 0.00 0.00 54.97 53.45 1wxt s GLU 60 Cb -0.13 -2.30 -0.05 0.00 -4.31 0.00 0.00 34.13 27.34 1wxt s GLU 60 CO -0.10 0.31 1.94 -1.25 0.01 0.00 0.00 175.26 176.18 1wxt s PRO 61 N -3.77 2.55 0.00 0.39 0.04 -1.26 -3.22 135.00 129.73 1wxt s PRO 61 Ca 0.34 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1wxt s PRO 61 Cb -0.06 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1wxt s PRO 61 CO 0.22 -3.47 0.61 -0.11 0.04 0.00 0.00 177.00 174.29 1wxt n LEU 62 N 14.03 0.28 -4.75 -3.56 7.94 -1.26 -4.75 117.00 124.92 1wxt n LEU 62 Ca 0.41 0.68 -0.40 0.00 -1.11 0.00 0.00 56.01 55.60 1wxt n LEU 62 Cb 0.47 -0.30 -0.06 0.00 0.53 0.00 0.00 43.42 44.05 1wxt n LEU 62 CO 0.61 -0.30 0.66 -0.55 -1.11 0.00 0.00 177.39 176.70 1wxt s SER 63 N -2.05 7.60 0.00 1.96 0.15 -1.26 -4.61 113.70 115.49 1wxt s SER 63 Ca 0.00 1.96 0.00 0.00 0.70 0.00 0.00 55.95 58.61 1wxt s SER 63 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1wxt s SER 63 CO 0.00 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1wxt n GLY 64 N 1.40 -1.86 3.72 9.45 0.00 -1.26 -5.00 105.19 111.65 1wxt n GLY 64 Ca -0.02 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.38 4.36 0.35 1.61 0.04 -1.26 -5.00 135.00 134.71 1wxt s PRO 65 Ca 0.00 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1wxt s PRO 65 Cb 0.00 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1wxt s PRO 65 CO 0.00 -0.34 0.53 -1.54 0.04 0.00 0.00 177.00 175.69 1wxt s SER 66 N 0.78 6.17 -0.15 6.66 1.04 -1.26 -5.10 113.70 121.84 1wxt s SER 66 Ca 0.61 0.28 0.01 0.00 0.48 0.00 0.00 55.95 57.32 1wxt s SER 66 Cb -0.36 -1.81 0.02 0.00 0.10 0.00 0.00 66.02 63.97 1wxt s SER 66 CO 0.33 -0.35 -0.16 -0.55 0.98 0.00 0.00 173.24 173.50 1wxt s SER 67 N -4.08 2.76 0.00 7.02 0.15 -1.26 -5.26 113.70 113.04 1wxt s SER 67 Ca 0.41 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1wxt s SER 67 Cb -0.10 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 1wxt s SER 67 CO 0.35 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.36